CID 78571

2-(chloromethyl)benzimidazole

Structural Information

Molecular Formula
C8H7ClN2
SMILES
C1=CC=C2C(=C1)NC(=N2)CCl
InChI
InChI=1S/C8H7ClN2/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11)
InChIKey
SPMLMLQATWNZEE-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

1772
Patents

166.02977 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03705 129.9
[M+Na]+ 189.01899 141.6
[M-H]- 165.02249 130.9
[M+NH4]+ 184.06359 151.2
[M+K]+ 204.99293 136.1
[M+H-H2O]+ 149.02703 123.8
[M+HCOO]- 211.02797 148.1
[M+CH3COO]- 225.04362 144.0
[M+Na-2H]- 187.00444 138.5
[M]+ 166.02922 131.9
[M]- 166.03032 131.9
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