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]+ 213.055776 140.5
[M+Na]+ 235.037718 149.0
[M-H]- 211.041224 142.1
[M+NH4]+ 230.082323 158.7
[M+K]+ 251.011658 147.5
[M+H-H2O]+ 195.045760 134.1
[M+HCOO]- 257.046701 161.6
[M+CH3COO]- 271.062351 184.2
[M+Na-2H]- 233.023166 143.4
[M]+ 212.04795142 141.6
[M]- 212.04904858 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.