CID 54594542

2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoic acid

Structural Information

Molecular Formula
C10H9FN2O3
SMILES
C1CN(C(=O)N1)C2=CC(=C(C=C2)F)C(=O)O
InChI
InChI=1S/C10H9FN2O3/c11-8-2-1-6(5-7(8)9(14)15)13-4-3-12-10(13)16/h1-2,5H,3-4H2,(H,12,16)(H,14,15)
InChIKey
SOHFPMDLJYDBLD-UHFFFAOYSA-N
Compound name
2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.05972 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06700 145.6
[M+Na]+ 247.04894 153.8
[M-H]- 223.05244 146.2
[M+NH4]+ 242.09354 161.4
[M+K]+ 263.02288 150.0
[M+H-H2O]+ 207.05698 137.6
[M+HCOO]- 269.05792 162.5
[M+CH3COO]- 283.07357 182.5
[M+Na-2H]- 245.03439 146.5
[M]+ 224.05917 140.9
[M]- 224.06027 140.9
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.