CID 84010823

2-(4-bromophenyl)-1-methyl-1h-imidazole-5-carboxylic acid

Structural Information

Molecular Formula
C11H9BrN2O2
SMILES
CN1C(=CN=C1C2=CC=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C11H9BrN2O2/c1-14-9(11(15)16)6-13-10(14)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,15,16)
InChIKey
JTVCZTIZGQSYBI-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-3-methylimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.98474 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.992016 152.0
[M+Na]+ 302.973958 164.9
[M-H]- 278.977464 158.4
[M+NH4]+ 298.018563 170.5
[M+K]+ 318.947898 153.4
[M+H-H2O]+ 262.982000 151.0
[M+HCOO]- 324.982941 171.4
[M+CH3COO]- 338.998591 193.0
[M+Na-2H]- 300.959406 156.5
[M]+ 279.98419142 171.3
[M]- 279.98528858 171.3
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

No patent data available for this compound.