CID 54595452

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

Structural Information

Molecular Formula
C10H9ClN2O3
SMILES
C1CN(C(=O)N1)C2=CC(=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C10H9ClN2O3/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
RYLWJXSPVCHJTQ-UHFFFAOYSA-N
Compound name
2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.03017 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.037446 149.2
[M+Na]+ 263.019388 158.1
[M-H]- 239.022894 151.0
[M+NH4]+ 258.063993 165.3
[M+K]+ 278.993328 153.0
[M+H-H2O]+ 223.027430 142.7
[M+HCOO]- 285.028371 162.5
[M+CH3COO]- 299.044021 183.6
[M+Na-2H]- 261.004836 150.2
[M]+ 240.02962142 147.5
[M]- 240.03071858 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.