CID 22018817

2-(chloromethyl)-4,5-dimethyl-1h-benzimidazole

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

35
Patents

194.06108 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06836 138.6
[M+Na]+ 217.05030 154.2
[M+NH4]+ 212.09490 148.0
[M+K]+ 233.02424 147.9
[M-H]- 193.05380 140.3
[M+Na-2H]- 215.03575 145.5
[M]+ 194.06053 141.7
[M]- 194.06163 141.7
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