CID 50990542

2-(2-fluorophenyl)butanedioic acid

Structural Information

Molecular Formula
C10H9FO4
SMILES
C1=CC=C(C(=C1)C(CC(=O)O)C(=O)O)F
InChI
InChI=1S/C10H9FO4/c11-8-4-2-1-3-6(8)7(10(14)15)5-9(12)13/h1-4,7H,5H2,(H,12,13)(H,14,15)
InChIKey
KPKJCNYCVCNXTN-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0485 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.05578 144.5
[M+Na]+ 235.03772 153.7
[M+NH4]+ 230.08232 149.8
[M+K]+ 251.01166 150.6
[M-H]- 211.04122 142.1
[M+Na-2H]- 233.02317 147.5
[M]+ 212.04795 144.6
[M]- 212.04905 144.6
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.