CID 55284570

2-chloro-1h-imidazole-5-carboxylic acid

Structural Information

Molecular Formula
C4H3ClN2O2
SMILES
C1=C(NC(=N1)Cl)C(=O)O
InChI
InChI=1S/C4H3ClN2O2/c5-4-6-1-2(7-4)3(8)9/h1H,(H,6,7)(H,8,9)
InChIKey
KWLYGBOXKJWYMU-UHFFFAOYSA-N
Compound name
2-chloro-1H-imidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

145.98831 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.995586 123.8
[M+Na]+ 168.977528 133.9
[M-H]- 144.981034 122.5
[M+NH4]+ 164.022133 143.7
[M+K]+ 184.951468 130.4
[M+H-H2O]+ 128.985570 118.4
[M+HCOO]- 190.986511 140.0
[M+CH3COO]- 205.002161 165.5
[M+Na-2H]- 166.962976 128.7
[M]+ 145.98776142 123.3
[M]- 145.98885858 123.3
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