CID 225500

2-[(4-chlorophenyl)methyl]-1h-benzimidazole

Structural Information

Molecular Formula
C14H11ClN2
SMILES
C1=CC=C2C(=C1)NC(=N2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H11ClN2/c15-11-7-5-10(6-8-11)9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17)
InChIKey
COGUOPIIFAMLES-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

216
Patents

242.06108 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06836 151.7
[M+Na]+ 265.05030 163.1
[M-H]- 241.05380 155.7
[M+NH4]+ 260.09490 169.7
[M+K]+ 281.02424 155.4
[M+H-H2O]+ 225.05834 143.9
[M+HCOO]- 287.05928 169.2
[M+CH3COO]- 301.07493 164.5
[M+Na-2H]- 263.03575 158.5
[M]+ 242.06053 153.8
[M]- 242.06163 153.8
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