CID 91882396

2-[2-fluoro-3-(methoxycarbonyl)phenyl]acetic acid

Structural Information

Molecular Formula
C10H9FO4
SMILES
COC(=O)C1=CC=CC(=C1F)CC(=O)O
InChI
InChI=1S/C10H9FO4/c1-15-10(14)7-4-2-3-6(9(7)11)5-8(12)13/h2-4H,5H2,1H3,(H,12,13)
InChIKey
MCFFIRIKDBXKLO-UHFFFAOYSA-N
Compound name
2-(2-fluoro-3-methoxycarbonylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0485 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.05578 140.5
[M+Na]+ 235.03772 149.0
[M-H]- 211.04122 142.1
[M+NH4]+ 230.08232 158.7
[M+K]+ 251.01166 147.5
[M+H-H2O]+ 195.04576 134.1
[M+HCOO]- 257.04670 161.6
[M+CH3COO]- 271.06235 184.2
[M+Na-2H]- 233.02317 143.4
[M]+ 212.04795 141.6
[M]- 212.04905 141.6
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.