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]+ 227.05818 145.2
[M+Na]+ 249.04012 157.5
[M-H]- 225.04362 146.6
[M+NH4]+ 244.08472 164.5
[M+K]+ 265.01406 152.7
[M+H-H2O]+ 209.04816 139.0
[M+HCOO]- 271.04910 163.1
[M+CH3COO]- 285.06475 185.5
[M+Na-2H]- 247.02557 151.3
[M]+ 226.05035 151.4
[M]- 226.05145 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.