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]+ 241.03745 149.2
[M+Na]+ 263.01939 158.1
[M-H]- 239.02289 151.0
[M+NH4]+ 258.06399 165.3
[M+K]+ 278.99333 153.0
[M+H-H2O]+ 223.02743 142.7
[M+HCOO]- 285.02837 162.5
[M+CH3COO]- 299.04402 183.6
[M+Na-2H]- 261.00484 150.2
[M]+ 240.02962 147.5
[M]- 240.03072 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.