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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.17258 203.9
[M+Na]+ 661.15452 207.9
[M-H]- 637.15802 207.2
[M+NH4]+ 656.19912 212.5
[M+K]+ 677.12846 220.7
[M+H-H2O]+ 621.16256 191.4
[M+HCOO]- 683.16350 221.0
[M+CH3COO]- 697.17915 262.4
[M+Na-2H]- 659.13997 199.8
[M]+ 638.16475 202.1
[M]- 638.16585 202.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.