CID 83730170

2411300-66-6

Structural Information

Molecular Formula
C9H7BrN2O2
SMILES
CC1=NC2=C(N1)C=C(C=C2Br)C(=O)O
InChI
InChI=1S/C9H7BrN2O2/c1-4-11-7-3-5(9(13)14)2-6(10)8(7)12-4/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKey
QAPMRJVHFRYTSB-UHFFFAOYSA-N
Compound name
7-bromo-2-methyl-3H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.96909 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.97637 144.9
[M+Na]+ 276.95831 159.2
[M-H]- 252.96181 148.3
[M+NH4]+ 272.00291 165.1
[M+K]+ 292.93225 147.1
[M+H-H2O]+ 236.96635 145.0
[M+HCOO]- 298.96729 163.3
[M+CH3COO]- 312.98294 186.6
[M+Na-2H]- 274.94376 151.4
[M]+ 253.96854 164.4
[M]- 253.96964 164.4
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

No patent data available for this compound.