CID 759417

1019-85-8

Structural Information

Molecular Formula
C13H9ClN2
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C13H9ClN2/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,(H,15,16)
InChIKey
PTXUJRTVWRYYTE-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

132
Patents

228.04543 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.052706 147.0
[M+Na]+ 251.034648 158.9
[M-H]- 227.038154 151.3
[M+NH4]+ 246.079253 165.6
[M+K]+ 267.008588 151.4
[M+H-H2O]+ 211.042690 139.4
[M+HCOO]- 273.043631 164.9
[M+CH3COO]- 287.059281 160.3
[M+Na-2H]- 249.020096 154.4
[M]+ 228.04488142 148.8
[M]- 228.04597858 148.8
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