CID 10013

Octadecanoic acid, 18-fluoro-10-methyl-, sodium salt

Structural Information

Molecular Formula
C19H37FO2
SMILES
CC(CCCCCCCCC(=O)O)CCCCCCCCF
InChI
InChI=1S/C19H37FO2/c1-18(15-11-7-4-5-9-13-17-20)14-10-6-2-3-8-12-16-19(21)22/h18H,2-17H2,1H3,(H,21,22)
InChIKey
QIRSUTHUFDPRNY-UHFFFAOYSA-N
Compound name
18-fluoro-10-methyloctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.27777 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.285046 187.1
[M+Na]+ 339.266988 188.4
[M-H]- 315.270494 182.2
[M+NH4]+ 334.311593 200.9
[M+K]+ 355.240928 184.6
[M+H-H2O]+ 299.275030 179.4
[M+HCOO]- 361.275971 202.7
[M+CH3COO]- 375.291621 210.9
[M+Na-2H]- 337.252436 183.5
[M]+ 316.27722142 191.1
[M]- 316.27831858 191.1
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

No patent data available for this compound.