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

19
Patents

209.97926 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.986536 135.1
[M+Na]+ 232.968478 149.0
[M-H]- 208.971984 139.2
[M+NH4]+ 228.013083 157.4
[M+K]+ 248.942418 137.2
[M+H-H2O]+ 192.976520 135.2
[M+HCOO]- 254.977461 155.8
[M+CH3COO]- 268.993111 150.8
[M+Na-2H]- 230.953926 145.1
[M]+ 209.97871142 153.9
[M]- 209.97980858 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