CID 23445113

1-(4-bromophenyl)-1h-imidazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H7BrN2O2
SMILES
C1=CC(=CC=C1N2C=C(N=C2)C(=O)O)Br
InChI
InChI=1S/C10H7BrN2O2/c11-7-1-3-8(4-2-7)13-5-9(10(14)15)12-6-13/h1-6H,(H,14,15)
InChIKey
BOXLOBBFTWDLPD-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

265.9691 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.976376 147.8
[M+Na]+ 288.958318 160.2
[M-H]- 264.961824 154.0
[M+NH4]+ 284.002923 166.5
[M+K]+ 304.932258 149.0
[M+H-H2O]+ 248.966360 146.8
[M+HCOO]- 310.967301 167.5
[M+CH3COO]- 324.982951 189.1
[M+Na-2H]- 286.943766 153.4
[M]+ 265.96855142 166.4
[M]- 265.96964858 166.4
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

patents stripe