CID 119056972

4,6-dichloro-2-(chloromethyl)-1h-1,3-benzodiazole hydrochloride

Structural Information

Molecular Formula
C8H5Cl3N2
SMILES
C1=C(C=C(C2=C1NC(=N2)CCl)Cl)Cl
InChI
InChI=1S/C8H5Cl3N2/c9-3-7-12-6-2-4(10)1-5(11)8(6)13-7/h1-2H,3H2,(H,12,13)
InChIKey
RRJAYWWECNYGRS-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-(chloromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.95183 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.95911 143.2
[M+Na]+ 256.94105 156.4
[M-H]- 232.94455 142.5
[M+NH4]+ 251.98565 162.2
[M+K]+ 272.91499 149.0
[M+H-H2O]+ 216.94909 137.9
[M+HCOO]- 278.95003 150.2
[M+CH3COO]- 292.96568 155.5
[M+Na-2H]- 254.92650 147.9
[M]+ 233.95128 146.4
[M]- 233.95238 146.4
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.