CID 22018753

2-(chloromethyl)-4-methoxy-1h-1,3-benzodiazole hydrochloride

Structural Information

Molecular Formula
C9H9ClN2O
SMILES
COC1=CC=CC2=C1N=C(N2)CCl
InChI
InChI=1S/C9H9ClN2O/c1-13-7-4-2-3-6-9(7)12-8(5-10)11-6/h2-4H,5H2,1H3,(H,11,12)
InChIKey
GIDJQLYMQRJVPA-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-methoxy-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

196.04034 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04762 137.7
[M+Na]+ 219.02956 149.7
[M-H]- 195.03306 138.8
[M+NH4]+ 214.07416 158.0
[M+K]+ 235.00350 144.5
[M+H-H2O]+ 179.03760 131.5
[M+HCOO]- 241.03854 155.7
[M+CH3COO]- 255.05419 151.5
[M+Na-2H]- 217.01501 145.0
[M]+ 196.03979 141.8
[M]- 196.04089 141.8
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