CID 13812603

2-fluorooctadecanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

302.26212 Da
Monoisotopic Mass

8.5
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

literature stripe

Patent stripe

patents stripe