CID 13224700

5-bromo-2-chloromethyl-1h-benzoimidazole

Structural Information

Molecular Formula
C8H6BrClN2
SMILES
C1=CC2=C(C=C1Br)NC(=N2)CCl
InChI
InChI=1S/C8H6BrClN2/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H,4H2,(H,11,12)
InChIKey
OWLMBJLZMJBNQJ-UHFFFAOYSA-N
Compound name
6-bromo-2-(chloromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

243.94029 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.947566 140.2
[M+Na]+ 266.929508 155.9
[M-H]- 242.933014 144.3
[M+NH4]+ 261.974113 162.3
[M+K]+ 282.903448 142.1
[M+H-H2O]+ 226.937550 140.7
[M+HCOO]- 288.938491 156.3
[M+CH3COO]- 302.954141 155.8
[M+Na-2H]- 264.914956 149.1
[M]+ 243.93974142 161.0
[M]- 243.94083858 161.0
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