CID 118827406

4-bromo-5-chloro-1h-benzimidazole

Structural Information

Molecular Formula
C7H4BrClN2
SMILES
C1=CC(=C(C2=C1NC=N2)Br)Cl
InChI
InChI=1S/C7H4BrClN2/c8-6-4(9)1-2-5-7(6)11-3-10-5/h1-3H,(H,10,11)
InChIKey
PQDFVUZVPCDZFJ-UHFFFAOYSA-N
Compound name
4-bromo-5-chloro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.92464 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.93192 135.5
[M+Na]+ 252.91386 151.6
[M-H]- 228.91736 139.8
[M+NH4]+ 247.95846 158.2
[M+K]+ 268.88780 138.1
[M+H-H2O]+ 212.92190 136.3
[M+HCOO]- 274.92284 152.0
[M+CH3COO]- 288.93849 151.6
[M+Na-2H]- 250.89931 144.9
[M]+ 229.92409 156.0
[M]- 229.92519 156.0
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

No patent data available for this compound.