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
1
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 154.0
[M+Na]+ 661.15452 154.0
[M+NH4]+ 656.19912 154.1
[M+K]+ 677.12846 154.1
[M-H]- 637.15802 154.0
[M+Na-2H]- 659.13997 161.3
[M]+ 638.16475 154.0
[M]- 638.16585 154.0
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.