CID 68386539

1360899-50-8

Structural Information

Molecular Formula
C7H6BrN3
SMILES
C1=C(C=C2C(=C1N)N=CN2)Br
InChI
InChI=1S/C7H6BrN3/c8-4-1-5(9)7-6(2-4)10-3-11-7/h1-3H,9H2,(H,10,11)
InChIKey
AXWRECIVRQXOGS-UHFFFAOYSA-N
Compound name
6-bromo-1H-benzimidazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

210.9745 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.98178 139.2
[M+Na]+ 233.96372 142.8
[M+NH4]+ 229.00832 144.1
[M+K]+ 249.93766 144.2
[M-H]- 209.96722 139.3
[M+Na-2H]- 231.94917 142.4
[M]+ 210.97395 138.4
[M]- 210.97505 138.4
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