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]+ 239.97670 145.0
[M+Na]+ 261.95864 147.8
[M+NH4]+ 257.00324 148.9
[M+K]+ 277.93258 150.0
[M-H]- 237.96214 144.3
[M+Na-2H]- 259.94409 147.2
[M]+ 238.96887 143.8
[M]- 238.96997 143.8
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.