CID 10513265

34626-05-6

Structural Information

Molecular Formula
C10H7ClN2O2
SMILES
C1=CC(=CC=C1C2=NC=C(N2)C(=O)O)Cl
InChI
InChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)9-12-5-8(13-9)10(14)15/h1-5H,(H,12,13)(H,14,15)
InChIKey
CWVVTDSOZJIEGN-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1H-imidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

222.0196 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.026876 144.1
[M+Na]+ 245.008818 154.0
[M-H]- 221.012324 146.2
[M+NH4]+ 240.053423 161.0
[M+K]+ 260.982758 148.4
[M+H-H2O]+ 205.016860 137.3
[M+HCOO]- 267.017801 160.0
[M+CH3COO]- 281.033451 180.4
[M+Na-2H]- 242.994266 147.7
[M]+ 222.01905142 144.2
[M]- 222.02014858 144.2
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

patents stripe