CID 3042996

1h-imidazole, 1-(4-chlorobenzoyl)-2-phenyl-

Structural Information

Molecular Formula
C16H11ClN2O
SMILES
C1=CC=C(C=C1)C2=NC=CN2C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H11ClN2O/c17-14-8-6-13(7-9-14)16(20)19-11-10-18-15(19)12-4-2-1-3-5-12/h1-11H
InChIKey
YUJCWKIOCRLJEG-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(2-phenylimidazol-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.056 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06328 163.0
[M+Na]+ 305.04522 179.9
[M+NH4]+ 300.08982 171.8
[M+K]+ 321.01916 172.7
[M-H]- 281.04872 168.4
[M+Na-2H]- 303.03067 174.2
[M]+ 282.05545 167.4
[M]- 282.05655 167.4
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.