CID 61609808

5-chloro-2-(1h-imidazol-1-yl)benzoic acid hydrochloride

Structural Information

Molecular Formula
C10H7ClN2O2
SMILES
C1=CC(=C(C=C1Cl)C(=O)O)N2C=CN=C2
InChI
InChI=1S/C10H7ClN2O2/c11-7-1-2-9(8(5-7)10(14)15)13-4-3-12-6-13/h1-6H,(H,14,15)
InChIKey
WVQUFKXLBBAUSW-UHFFFAOYSA-N
Compound name
5-chloro-2-imidazol-1-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0196 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.02688 144.3
[M+Na]+ 245.00882 158.4
[M+NH4]+ 240.05342 152.0
[M+K]+ 260.98276 154.0
[M-H]- 221.01232 146.1
[M+Na-2H]- 242.99427 151.9
[M]+ 222.01905 147.0
[M]- 222.02015 147.0
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.