CID 10681828

221548-18-1

Structural Information

Molecular Formula
C8H6BrClN2
SMILES
CC1=NC2=CC(=C(C=C2N1)Cl)Br
InChI
InChI=1S/C8H6BrClN2/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,1H3,(H,11,12)
InChIKey
SJJUHQDEQLCDLA-UHFFFAOYSA-N
Compound name
5-bromo-6-chloro-2-methyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

243.94029 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.947566 140.1
[M+Na]+ 266.929508 156.7
[M-H]- 242.933014 144.6
[M+NH4]+ 261.974113 162.6
[M+K]+ 282.903448 142.9
[M+H-H2O]+ 226.937550 140.9
[M+HCOO]- 288.938491 156.3
[M+CH3COO]- 302.954141 156.1
[M+Na-2H]- 264.914956 148.3
[M]+ 243.93974142 161.3
[M]- 243.94083858 161.3
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.