CID 3087682

Ethanone, 1-(2-((4-chlorophenyl)methyl)-1h-benzimidazol-5-yl)-

Structural Information

Molecular Formula
C16H13ClN2O
SMILES
CC(=O)C1=CC2=C(C=C1)N=C(N2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H13ClN2O/c1-10(20)12-4-7-14-15(9-12)19-16(18-14)8-11-2-5-13(17)6-3-11/h2-7,9H,8H2,1H3,(H,18,19)
InChIKey
DUYDQDZHKRYXRM-UHFFFAOYSA-N
Compound name
1-[2-[(4-chlorophenyl)methyl]-3H-benzimidazol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.07166 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07894 163.3
[M+Na]+ 307.06088 179.9
[M+NH4]+ 302.10548 171.9
[M+K]+ 323.03482 172.9
[M-H]- 283.06438 166.8
[M+Na-2H]- 305.04633 171.8
[M]+ 284.07111 167.1
[M]- 284.07221 167.1
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

No patent data available for this compound.