PubChemLite - 8h,8h-perfluoropentadecane-7,9-dione (C15H2F26O2)

Structural Information

Molecular Formula

SMILES

C(C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C15H2F26O2/c16-4(17,6(20,21)8(24,25)10(28,29)12(32,33)14(36,37)38)2(42)1-3(43)5(18,19)7(22,23)9(26,27)11(30,31)13(34,35)15(39,40)41/h1H2

InChIKey

VJPLPULMKIMOSI-UHFFFAOYSA-N

Compound name

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

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]+	708.97128	201.7
[M+Na]+	730.95322	206.0
[M-H]-	706.95672	214.8
[M+NH4]+	725.99782	215.9
[M+K]+	746.92716	220.0
[M+H-H2O]+	690.96126	189.6
[M+HCOO]-	752.96220	216.9
[M+CH3COO]-	766.97785	262.7
[M+Na-2H]-	728.93867	203.3
[M]+	707.96345	199.5
[M]-	707.96455	199.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

708.97128

201.7

[M+Na]+

730.95322

206.0

[M-H]-

706.95672

214.8

[M+NH4]+

725.99782

215.9

[M+K]+

746.92716

220.0

[M+H-H2O]+

690.96126

189.6

[M+HCOO]-

752.96220

216.9

[M+CH3COO]-

766.97785

262.7

[M+Na-2H]-

728.93867

203.3

[M]+

707.96345

199.5

[M]-

707.96455

199.5

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

8h,8h-perfluoropentadecane-7,9-dione

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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