CID 56935804

16-fluoro-7z-hexadecenoic acid

Structural Information

Molecular Formula
C16H29FO2
SMILES
C(CCCCF)CCC/C=C\CCCCCC(=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/h2,4H,1,3,5-15H2,(H,18,19)/b4-2-
InChIKey
IOVAKPNDTNJMGW-RQOWECAXSA-N
Compound name
(Z)-16-fluorohexadec-7-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.