CID 1560

2-fluoropalmitic acid

Structural Information

Molecular Formula
C16H31FO2
SMILES
CCCCCCCCCCCCCCC(C(=O)O)F
InChI
InChI=1S/C16H31FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
InChIKey
JGRIJJOLCNCSNX-UHFFFAOYSA-N
Compound name
2-fluorohexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

232
Patents

274.2308 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.23808 173.6
[M+Na]+ 297.22002 176.0
[M-H]- 273.22352 169.2
[M+NH4]+ 292.26462 189.0
[M+K]+ 313.19396 173.1
[M+H-H2O]+ 257.22806 166.4
[M+HCOO]- 319.22900 190.2
[M+CH3COO]- 333.24465 202.0
[M+Na-2H]- 295.20547 171.6
[M]+ 274.23025 176.4
[M]- 274.23135 176.4
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