CID 266289

93905-64-7

Structural Information

Molecular Formula
C9H9ClN2
SMILES
CC1=CC2=C(C=C1)N=C(N2)CCl
InChI
InChI=1S/C9H9ClN2/c1-6-2-3-7-8(4-6)12-9(5-10)11-7/h2-4H,5H2,1H3,(H,11,12)
InChIKey
CBRYYRQILDVDHH-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-6-methyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
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 134.8
[M+Na]+ 203.03465 146.9
[M-H]- 179.03815 135.9
[M+NH4]+ 198.07925 155.8
[M+K]+ 219.00859 141.2
[M+H-H2O]+ 163.04269 128.8
[M+HCOO]- 225.04363 152.6
[M+CH3COO]- 239.05928 148.7
[M+Na-2H]- 201.02010 142.0
[M]+ 180.04488 137.4
[M]- 180.04598 137.4
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

patents stripe