CID 76845917

1263060-69-0

Structural Information

Molecular Formula
C8H8BrN3
SMILES
C1=CC2=C(C(=C1)Br)N=C(N2)CN
InChI
InChI=1S/C8H8BrN3/c9-5-2-1-3-6-8(5)12-7(4-10)11-6/h1-3H,4,10H2,(H,11,12)
InChIKey
BMRXKDIZQIWUMK-UHFFFAOYSA-N
Compound name
(4-bromo-1H-benzimidazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.99016 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.99744 138.8
[M+Na]+ 247.97938 152.6
[M-H]- 223.98288 142.7
[M+NH4]+ 243.02398 160.2
[M+K]+ 263.95332 139.9
[M+H-H2O]+ 207.98742 138.2
[M+HCOO]- 269.98836 159.8
[M+CH3COO]- 284.00401 154.0
[M+Na-2H]- 245.96483 147.5
[M]+ 224.98961 156.3
[M]- 224.99071 156.3
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

No patent data available for this compound.