CID 14518401

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

Structural Information

Molecular Formula
C9H9ClN2
SMILES
CC1=NC2=C(N1)C=C(C=C2)CCl
InChI
InChI=1S/C9H9ClN2/c1-6-11-8-3-2-7(5-10)4-9(8)12-6/h2-4H,5H2,1H3,(H,11,12)
InChIKey
RFDJVOPPFGOKCM-UHFFFAOYSA-N
Compound name
6-(chloromethyl)-2-methyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

180.04543 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05271 134.0
[M+Na]+ 203.03465 149.4
[M+NH4]+ 198.07925 143.5
[M+K]+ 219.00859 143.2
[M-H]- 179.03815 135.7
[M+Na-2H]- 201.02010 141.4
[M]+ 180.04488 137.0
[M]- 180.04598 137.0
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