CID 23445060

1-(3,4-dichlorophenyl)-1h-imidazole-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C10H6Cl2N2O2
SMILES
C1=CC(=C(C=C1N2C=C(N=C2)C(=O)O)Cl)Cl
InChI
InChI=1S/C10H6Cl2N2O2/c11-7-2-1-6(3-8(7)12)14-4-9(10(15)16)13-5-14/h1-5H,(H,15,16)
InChIKey
FKYKLCCAVXYPJK-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

255.98064 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.987916 149.2
[M+Na]+ 278.969858 160.6
[M-H]- 254.973364 152.2
[M+NH4]+ 274.014463 166.0
[M+K]+ 294.943798 154.7
[M+H-H2O]+ 238.977900 142.7
[M+HCOO]- 300.978841 161.3
[M+CH3COO]- 314.994491 188.7
[M+Na-2H]- 276.955306 151.8
[M]+ 255.98009142 152.5
[M]- 255.98118858 152.5
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