CID 95909251

1354763-63-5

Structural Information

Molecular Formula
C8H6BrN3O
SMILES
C1=C(C=C2C(=C1C(=O)N)N=CN2)Br
InChI
InChI=1S/C8H6BrN3O/c9-4-1-5(8(10)13)7-6(2-4)11-3-12-7/h1-3H,(H2,10,13)(H,11,12)
InChIKey
RSASGVKDQQKCCQ-UHFFFAOYSA-N
Compound name
6-bromo-1H-benzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.96942 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.976696 141.0
[M+Na]+ 261.958638 154.5
[M-H]- 237.962144 145.0
[M+NH4]+ 257.003243 161.6
[M+K]+ 277.932578 142.3
[M+H-H2O]+ 221.966680 140.3
[M+HCOO]- 283.967621 161.4
[M+CH3COO]- 297.983271 155.9
[M+Na-2H]- 259.944086 148.6
[M]+ 238.96887142 158.6
[M]- 238.96996858 158.6
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.