CID 22018817

2-(chloromethyl)-6,7-dimethyl-1h-benzimidazole hydrochloride

Structural Information

Molecular Formula
C10H11ClN2
SMILES
CC1=C(C2=C(C=C1)NC(=N2)CCl)C
InChI
InChI=1S/C10H11ClN2/c1-6-3-4-8-10(7(6)2)13-9(5-11)12-8/h3-4H,5H2,1-2H3,(H,12,13)
InChIKey
HDTZCVJNZSQFOH-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4,5-dimethyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

194.06108 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.068356 139.5
[M+Na]+ 217.050298 152.1
[M-H]- 193.053804 140.9
[M+NH4]+ 212.094903 160.3
[M+K]+ 233.024238 146.2
[M+H-H2O]+ 177.058340 133.6
[M+HCOO]- 239.059281 157.0
[M+CH3COO]- 253.074931 153.4
[M+Na-2H]- 215.035746 145.5
[M]+ 194.06053142 142.9
[M]- 194.06162858 142.9
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

patents stripe