CID 267589

9-fluorooctadecanoic acid

Structural Information

Molecular Formula
C18H35FO2
SMILES
CCCCCCCCCC(CCCCCCCC(=O)O)F
InChI
InChI=1S/C18H35FO2/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h17H,2-16H2,1H3,(H,20,21)
InChIKey
STWMKAZSEXEEPU-UHFFFAOYSA-N
Compound name
9-fluorooctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.26212 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.26940 182.6
[M+Na]+ 325.25134 184.3
[M-H]- 301.25484 177.9
[M+NH4]+ 320.29594 197.0
[M+K]+ 341.22528 180.8
[M+H-H2O]+ 285.25938 175.1
[M+HCOO]- 347.26032 198.5
[M+CH3COO]- 361.27597 207.9
[M+Na-2H]- 323.23679 179.6
[M]+ 302.26157 186.2
[M]- 302.26267 186.2
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