CID 76965485

1287189-46-1

Structural Information

Molecular Formula
C11H9ClN2O2
SMILES
CC1=CC=C(C=C1)C2=C(NC(=N2)C(=O)O)Cl
InChI
InChI=1S/C11H9ClN2O2/c1-6-2-4-7(5-3-6)8-9(12)14-10(13-8)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKey
GERHFBATOJZCQY-UHFFFAOYSA-N
Compound name
5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

1
Patents

236.03525 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.04253 148.7
[M+Na]+ 259.02447 159.0
[M-H]- 235.02797 150.9
[M+NH4]+ 254.06907 165.2
[M+K]+ 274.99841 153.2
[M+H-H2O]+ 219.03251 142.0
[M+HCOO]- 281.03345 164.1
[M+CH3COO]- 295.04910 184.6
[M+Na-2H]- 257.00992 151.0
[M]+ 236.03470 149.4
[M]- 236.03580 149.4
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.