CID 2386173

2-(1h-1,3-benzodiazol-2-yl)-1-(3-chlorophenyl)ethan-1-one

Structural Information

Molecular Formula
C15H11ClN2O
SMILES
C1=CC=C2C(=C1)NC(=N2)CC(=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H11ClN2O/c16-11-5-3-4-10(8-11)14(19)9-15-17-12-6-1-2-7-13(12)18-15/h1-8H,9H2,(H,17,18)
InChIKey
ZSQKWFLSMUVVNC-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.056 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06328 158.6
[M+Na]+ 293.04522 175.1
[M+NH4]+ 288.08982 167.5
[M+K]+ 309.01916 168.2
[M-H]- 269.04872 162.2
[M+Na-2H]- 291.03067 167.7
[M]+ 270.05545 162.4
[M]- 270.05655 162.4
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.