CID 58986161

39860-16-7

Structural Information

Molecular Formula
C8H8BrN3
SMILES
CN1C2=C(C=CC=C2Br)N=C1N
InChI
InChI=1S/C8H8BrN3/c1-12-7-5(9)3-2-4-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11)
InChIKey
FQBUUUIKMZYPJZ-UHFFFAOYSA-N
Compound name
7-bromo-1-methylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

224.99016 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.99744 142.7
[M+Na]+ 247.97938 147.0
[M+NH4]+ 243.02398 147.8
[M+K]+ 263.95332 148.1
[M-H]- 223.98288 143.4
[M+Na-2H]- 245.96483 146.0
[M]+ 224.98961 142.3
[M]- 224.99071 142.3
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