CID 525563

Heptafluorobutyric acid, n-tetradecyl ester

Structural Information

Molecular Formula
C18H29F7O2
SMILES
CCCCCCCCCCCCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H29F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-15(26)16(19,20)17(21,22)18(23,24)25/h2-14H2,1H3
InChIKey
QIUJCCVBRUUHMI-UHFFFAOYSA-N
Compound name
tetradecyl 2,2,3,3,4,4,4-heptafluorobutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

410.20557 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.21285 197.2
[M+Na]+ 433.19479 201.4
[M-H]- 409.19829 186.9
[M+NH4]+ 428.23939 186.8
[M+K]+ 449.16873 197.3
[M+H-H2O]+ 393.20283 185.6
[M+HCOO]- 455.20377 198.6
[M+CH3COO]- 469.21942 226.1
[M+Na-2H]- 431.18024 195.2
[M]+ 410.20502 193.4
[M]- 410.20612 193.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.