PubChemLite - Perfluoropentadecane (C15F32)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C15F32/c16-1(17,2(18,19)4(22,23)6(26,27)8(30,31)10(34,35)12(38,39)14(42,43)44)3(20,21)5(24,25)7(28,29)9(32,33)11(36,37)13(40,41)15(45,46)47

InChIKey

QKYNDPROJKKCEU-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-dotriacontafluoropentadecane

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]+	788.95618	207.3
[M+Na]+	810.93812	209.9
[M-H]-	786.94162	218.7
[M+NH4]+	805.98272	218.8
[M+K]+	826.91206	225.1
[M+H-H2O]+	770.94616	194.6
[M+HCOO]-	832.94710	223.4
[M+CH3COO]-	846.96275	267.9
[M+Na-2H]-	808.92357	211.1
[M]+	787.94835	204.0
[M]-	787.94945	204.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

788.95618

207.3

[M+Na]+

810.93812

209.9

[M-H]-

786.94162

218.7

[M+NH4]+

805.98272

218.8

[M+K]+

826.91206

225.1

[M+H-H2O]+

770.94616

194.6

[M+HCOO]-

832.94710

223.4

[M+CH3COO]-

846.96275

267.9

[M+Na-2H]-

808.92357

211.1

[M]+

787.94835

204.0

[M]-

787.94945

204.0

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

Perfluoropentadecane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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