PubChemLite - 143356-32-5 (C18F40N2)

Structural Information

Molecular Formula

SMILES

C(C(C(C(N(C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(N(C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C18F40N2/c19-1(20,3(23,24)13(47,48)59(15(51,52)5(27,28)9(35,36)37)16(53,54)6(29,30)10(38,39)40)2(21,22)4(25,26)14(49,50)60(17(55,56)7(31,32)11(41,42)43)18(57,58)8(33,34)12(44,45)46

InChIKey

AAPHNZCZOSOYTI-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-N,N,N',N'-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)hexane-1,6-diamine

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]+	1004.9495	240.2
[M+Na]+	1026.9315	243.4
[M-H]-	1002.9350	254.8
[M+NH4]+	1021.9761	252.5
[M+K]+	1042.9054	257.5
[M+H-H2O]+	986.93952	230.0
[M+HCOO]-	1048.9405	250.9
[M+CH3COO]-	1062.9561	278.7
[M+Na-2H]-	1024.9169	245.7
[M]+	1003.9417	232.1
[M]-	1003.9428	232.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1004.9495

240.2

[M+Na]+

1026.9315

243.4

[M-H]-

1002.9350

254.8

[M+NH4]+

1021.9761

252.5

[M+K]+

1042.9054

257.5

[M+H-H2O]+

986.93952

230.0

[M+HCOO]-

1048.9405

250.9

[M+CH3COO]-

1062.9561

278.7

[M+Na-2H]-

1024.9169

245.7

[M]+

1003.9417

232.1

[M]-

1003.9428

232.1

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

143356-32-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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