CID 61365300

2-(chloromethyl)-5,6-dimethoxy-1h-1,3-benzodiazole hydrochloride

Structural Information

Molecular Formula
C10H11ClN2O2
SMILES
COC1=C(C=C2C(=C1)NC(=N2)CCl)OC
InChI
InChI=1S/C10H11ClN2O2/c1-14-8-3-6-7(4-9(8)15-2)13-10(5-11)12-6/h3-4H,5H2,1-2H3,(H,12,13)
InChIKey
YLDQQGOPVWCPIW-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0509 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.058176 145.2
[M+Na]+ 249.040118 157.5
[M-H]- 225.043624 146.6
[M+NH4]+ 244.084723 164.5
[M+K]+ 265.014058 152.7
[M+H-H2O]+ 209.048160 139.0
[M+HCOO]- 271.049101 163.1
[M+CH3COO]- 285.064751 185.5
[M+Na-2H]- 247.025566 151.3
[M]+ 226.05035142 151.4
[M]- 226.05144858 151.4
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.