PubChemLite - 167631-99-4 (C21H3F41O7)

Structural Information

Molecular Formula

SMILES

C(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)O

InChI

InChI=1S/C21H3F41O7/c22-2(1-63,9(30,31)32)64-17(53,54)4(25,11(36,37)38)66-19(57,58)6(27,13(42,43)44)68-21(61,62)8(29,15(48,49)50)69-20(59,60)7(28,14(45,46)47)67-18(55,56)5(26,12(39,40)41)65-16(51,52)3(23,24)10(33,34)35/h63H,1H2

InChIKey

SAETUWCYSIJUEM-UHFFFAOYSA-N

Compound name

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1146.9297	257.4
[M+Na]+	1168.9116	257.0
[M-H]-	1144.9151	271.1
[M+NH4]+	1163.9562	268.6
[M+K]+	1184.8856	271.5
[M+H-H2O]+	1128.9197	246.2
[M+HCOO]-	1190.9206	267.8
[M+CH3COO]-	1204.9363	276.9
[M+Na-2H]-	1166.8971	260.5
[M]+	1145.9219	252.2
[M]-	1145.9229	252.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1146.9297

257.4

[M+Na]+

1168.9116

257.0

[M-H]-

1144.9151

271.1

[M+NH4]+

1163.9562

268.6

[M+K]+

1184.8856

271.5

[M+H-H2O]+

1128.9197

246.2

[M+HCOO]-

1190.9206

267.8

[M+CH3COO]-

1204.9363

276.9

[M+Na-2H]-

1166.8971

260.5

[M]+

1145.9219

252.2

[M]-

1145.9229

252.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

167631-99-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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