CID 270018

2089325-93-7

Structural Information

Molecular Formula
C8H7BrN2
SMILES
C1=CC=C2C(=C1)NC(=N2)CBr
InChI
InChI=1S/C8H7BrN2/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11)
InChIKey
GTQILGWKIWRZSM-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

209.97926 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.98654 135.1
[M+Na]+ 232.96848 149.0
[M-H]- 208.97198 139.2
[M+NH4]+ 228.01308 157.4
[M+K]+ 248.94242 137.2
[M+H-H2O]+ 192.97652 135.2
[M+HCOO]- 254.97746 155.8
[M+CH3COO]- 268.99311 150.8
[M+Na-2H]- 230.95393 145.1
[M]+ 209.97871 153.9
[M]- 209.97981 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe