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

0
Patents

243.94029 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.94757 140.1
[M+Na]+ 266.92951 156.7
[M-H]- 242.93301 144.6
[M+NH4]+ 261.97411 162.6
[M+K]+ 282.90345 142.9
[M+H-H2O]+ 226.93755 140.9
[M+HCOO]- 288.93849 156.3
[M+CH3COO]- 302.95414 156.1
[M+Na-2H]- 264.91496 148.3
[M]+ 243.93974 161.3
[M]- 243.94084 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.