CID 22163883

1357946-12-3

Structural Information

Molecular Formula
C8H7BrN2
SMILES
C1=CC2=C(C=C1CBr)NC=N2
InChI
InChI=1S/C8H7BrN2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,4H2,(H,10,11)
InChIKey
IXYOZIVSKCRKCT-UHFFFAOYSA-N
Compound name
6-(bromomethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

209.97926 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe