CID 10013

Sodium fluorotuberculostearate

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]+ 317.28505 187.1
[M+Na]+ 339.26699 188.4
[M-H]- 315.27049 182.2
[M+NH4]+ 334.31159 200.9
[M+K]+ 355.24093 184.6
[M+H-H2O]+ 299.27503 179.4
[M+HCOO]- 361.27597 202.7
[M+CH3COO]- 375.29162 210.9
[M+Na-2H]- 337.25244 183.5
[M]+ 316.27722 191.1
[M]- 316.27832 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.