CID 76717

3237-62-5

Structural Information

Molecular Formula
C10H10Cl2N2
SMILES
CCN1C(=NC2=CC(=C(C=C21)Cl)Cl)C
InChI
InChI=1S/C10H10Cl2N2/c1-3-14-6(2)13-9-4-7(11)8(12)5-10(9)14/h4-5H,3H2,1-2H3
InChIKey
IVVLMQPTQOLYDX-UHFFFAOYSA-N
Compound name
5,6-dichloro-1-ethyl-2-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

47
Patents

228.02211 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02939 145.6
[M+Na]+ 251.01133 159.7
[M-H]- 227.01483 147.7
[M+NH4]+ 246.05593 166.2
[M+K]+ 266.98527 153.3
[M+H-H2O]+ 211.01937 139.8
[M+HCOO]- 273.02031 159.1
[M+CH3COO]- 287.03596 159.5
[M+Na-2H]- 248.99678 150.3
[M]+ 228.02156 151.9
[M]- 228.02266 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe