CID 151081

16-fluoropalmitic acid

Structural Information

Molecular Formula
C16H31FO2
SMILES
C(CCCCCCCC(=O)O)CCCCCCCF
InChI
InChI=1S/C16H31FO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1-15H2,(H,18,19)
InChIKey
PNNLLDRVJFDXNL-UHFFFAOYSA-N
Compound name
16-fluorohexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

24
Patents

274.2308 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.23808 172.8
[M+Na]+ 297.22002 175.5
[M-H]- 273.22352 168.4
[M+NH4]+ 292.26462 188.3
[M+K]+ 313.19396 172.1
[M+H-H2O]+ 257.22806 165.6
[M+HCOO]- 319.22900 190.4
[M+CH3COO]- 333.24465 201.2
[M+Na-2H]- 295.20547 172.1
[M]+ 274.23025 176.3
[M]- 274.23135 176.3
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