CID 89856394

Dtxsid20895359

Structural Information

Molecular Formula
C21H23F21
SMILES
CCCCCCCCCCCC(C(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)(F)F
InChI
InChI=1S/C21H23F21/c1-2-3-4-5-6-7-8-9-10-11-12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)20(38,39)21(40,41)42/h2-11H2,1H3
InChIKey
YKNQZBAXZDMIMH-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-henicosafluorohenicosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

674.1464 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.15368 207.0
[M+Na]+ 697.13562 210.5
[M-H]- 673.13912 211.9
[M+NH4]+ 692.18022 216.5
[M+K]+ 713.10956 224.5
[M+H-H2O]+ 657.14366 193.8
[M+HCOO]- 719.14460 223.8
[M+CH3COO]- 733.16025 266.0
[M+Na-2H]- 695.12107 203.7
[M]+ 674.14585 205.2
[M]- 674.14695 205.2
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

patents stripe