CID 85959149

Dtxsid20895374

Structural Information

Molecular Formula

C₂₁H₂₅F₁₉

SMILES

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

InChI

InChI=1S/C21H25F19/c1-2-3-4-5-6-7-8-9-10-11-12-13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)20(36,37)21(38,39)40/h2-12H2,1H3

InChIKey

CNVVZDDARHANKR-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorohenicosane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 638.1653 Da
Monoisotopic Mass: 12.8
XlogP (predicted)

Profile

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]+	639.172576	203.9
[M+Na]+	661.154518	207.9
[M-H]-	637.158024	207.2
[M+NH4]+	656.199123	212.5
[M+K]+	677.128458	220.7
[M+H-H2O]+	621.162560	191.4
[M+HCOO]-	683.163501	221.0
[M+CH3COO]-	697.179151	262.4
[M+Na-2H]-	659.139966	199.8
[M]+	638.16475142	202.1
[M]-	638.16584858	202.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.