CID 248044

19412-48-7

Structural Information

Molecular Formula
C9H9ClN2
SMILES
CN1C2=CC=CC=C2N=C1CCl
InChI
InChI=1S/C9H9ClN2/c1-12-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,6H2,1H3
InChIKey
WRGVPFAJPMIYOX-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

357
Patents

180.04543 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05271 134.3
[M+Na]+ 203.03465 146.9
[M-H]- 179.03815 136.8
[M+NH4]+ 198.07925 156.0
[M+K]+ 219.00859 142.1
[M+H-H2O]+ 163.04269 128.0
[M+HCOO]- 225.04363 153.6
[M+CH3COO]- 239.05928 149.0
[M+Na-2H]- 201.02010 142.0
[M]+ 180.04488 138.8
[M]- 180.04598 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe