CID 12643362

76808-73-6

Structural Information

Molecular Formula

C₄H₃ClN₂O₂

SMILES

C1=NC(=C(N1)Cl)C(=O)O

InChI

InChI=1S/C4H3ClN2O2/c5-3-2(4(8)9)6-1-7-3/h1H,(H,6,7)(H,8,9)

InChIKey

ZRFXICBRNCNZBH-UHFFFAOYSA-N

Compound name

5-chloro-1H-imidazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 145.98831 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	146.99559	123.8
[M+Na]+	168.97753	133.9
[M-H]-	144.98103	122.5
[M+NH4]+	164.02213	143.7
[M+K]+	184.95147	130.4
[M+H-H2O]+	128.98557	118.4
[M+HCOO]-	190.98651	140.0
[M+CH3COO]-	205.00216	165.5
[M+Na-2H]-	166.96298	128.7
[M]+	145.98776	123.3
[M]-	145.98886	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe