{3,4,5-tris[1,1,2-trifluoro-2-(heptafluoropropoxy)ethoxy]phenyl}methanol (C22H8F30O7)

Structural Information

Molecular Formula

SMILES

C1=C(C=C(C(=C1OC(C(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)OC(C(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)OC(C(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)CO

InChI

InChI=1S/C22H8F30O7/c23-8(57-20(47,48)14(32,33)17(38,39)40)11(26,27)54-5-1-4(3-53)2-6(55-12(28,29)9(24)58-21(49,50)15(34,35)18(41,42)43)7(5)56-13(30,31)10(25)59-22(51,52)16(36,37)19(44,45)46/h1-2,8-10,53H,3H2

InChIKey

QAIUGEQQBSAKLV-UHFFFAOYSA-N

Compound name

[3,4,5-tris[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]phenyl]methanol

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]+	954.986376	230.8
[M+Na]+	976.968318	232.6
[M-H]-	952.971824	244.4
[M+NH4]+	972.012923	245.7
[M+K]+	992.942258	247.1
[M+H-H2O]+	936.976360	219.9
[M+HCOO]-	998.977301	242.4
[M+CH3COO]-	1012.992951	283.8
[M+Na-2H]-	974.953766	230.1
[M]+	953.97855142	227.1
[M]-	953.97964858	227.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

954.986376

230.8

[M+Na]+

976.968318

232.6

[M-H]-

952.971824

244.4

[M+NH4]+

972.012923

245.7

[M+K]+

992.942258

247.1

[M+H-H2O]+

936.976360

219.9

[M+HCOO]-

998.977301

242.4

[M+CH3COO]-

1012.992951

283.8

[M+Na-2H]-

974.953766

230.1

[M]+

953.97855142

227.1

[M]-

953.97964858

227.1

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

{3,4,5-tris[1,1,2-trifluoro-2-(heptafluoropropoxy)ethoxy]phenyl}methanol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe