CID 5312955

(z)-18-fluorooctadec-9-enoic acid

Structural Information

Molecular Formula
C18H33FO2
SMILES
C(CCCCF)CCC/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C18H33FO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2H,3-17H2,(H,20,21)/b2-1-
InChIKey
XZCKFYWUUUBKNC-UPHRSURJSA-N
Compound name
(Z)-18-fluorooctadec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

300.24646 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.25374 180.3
[M+Na]+ 323.23568 182.6
[M-H]- 299.23918 175.6
[M+NH4]+ 318.28028 194.8
[M+K]+ 339.20962 178.0
[M+H-H2O]+ 283.24372 172.8
[M+HCOO]- 345.24466 197.5
[M+CH3COO]- 359.26031 205.6
[M+Na-2H]- 321.22113 178.6
[M]+ 300.24591 183.8
[M]- 300.24701 183.8
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