CID 743896

7187-31-7

Structural Information

Molecular Formula
C15H13ClN2O
SMILES
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Cl)CO
InChI
InChI=1S/C15H13ClN2O/c16-12-7-5-11(6-8-12)9-18-14-4-2-1-3-13(14)17-15(18)10-19/h1-8,19H,9-10H2
InChIKey
VUZVSFJBGRTRQC-UHFFFAOYSA-N
Compound name
[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

10
Patents

272.07166 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.078936 159.7
[M+Na]+ 295.060878 171.4
[M-H]- 271.064384 164.0
[M+NH4]+ 290.105483 176.7
[M+K]+ 311.034818 164.1
[M+H-H2O]+ 255.068920 151.8
[M+HCOO]- 317.069861 177.1
[M+CH3COO]- 331.085511 172.2
[M+Na-2H]- 293.046326 165.3
[M]+ 272.07111142 164.0
[M]- 272.07220858 164.0
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