CID 56935805

16-fluoro-9z-hexadecenoic acid

Structural Information

Molecular Formula
C16H29FO2
SMILES
C(CCC/C=C\CCCCCCF)CCCC(=O)O
InChI
InChI=1S/C16H29FO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1,3H,2,4-15H2,(H,18,19)/b3-1-
InChIKey
RDQBKFIOEQYUSG-IWQZZHSRSA-N
Compound name
(Z)-16-fluorohexadec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

272.21515 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.22243 171.4
[M+Na]+ 295.20437 174.4
[M-H]- 271.20787 167.0
[M+NH4]+ 290.24897 187.0
[M+K]+ 311.17831 170.4
[M+H-H2O]+ 255.21241 164.3
[M+HCOO]- 317.21335 189.2
[M+CH3COO]- 331.22900 199.7
[M+Na-2H]- 293.18982 170.7
[M]+ 272.21460 174.1
[M]- 272.21570 174.1
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

patents stripe