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 144.9
[M+Na]+ 249.04012 159.5
[M+NH4]+ 244.08472 153.1
[M+K]+ 265.01406 154.3
[M-H]- 225.04362 145.6
[M+Na-2H]- 247.02557 150.8
[M]+ 226.05035 147.4
[M]- 226.05145 147.4
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.