CID 76064

5-chloro-1-ethyl-2-methyl-benzimidazole

Structural Information

Molecular Formula
C10H11ClN2
SMILES
CCN1C(=NC2=C1C=CC(=C2)Cl)C
InChI
InChI=1S/C10H11ClN2/c1-3-13-7(2)12-9-6-8(11)4-5-10(9)13/h4-6H,3H2,1-2H3
InChIKey
WOUUWYXDNDKIGX-UHFFFAOYSA-N
Compound name
5-chloro-1-ethyl-2-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

10
Patents

194.06108 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.068356 139.0
[M+Na]+ 217.050298 152.0
[M-H]- 193.053804 141.7
[M+NH4]+ 212.094903 160.5
[M+K]+ 233.024238 146.9
[M+H-H2O]+ 177.058340 132.7
[M+HCOO]- 239.059281 157.9
[M+CH3COO]- 253.074931 153.5
[M+Na-2H]- 215.035746 145.4
[M]+ 194.06053142 144.2
[M]- 194.06162858 144.2
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