CID 41239

Brn 0660163

Structural Information

Molecular Formula
C16H11ClN2O
SMILES
C1=CC=C(C(=C1)C2=NC=CN2)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H11ClN2O/c17-12-7-5-11(6-8-12)15(20)13-3-1-2-4-14(13)16-18-9-10-19-16/h1-10H,(H,18,19)
InChIKey
ISAXAIVJYQBLOX-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-[2-(1H-imidazol-2-yl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.056 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06328 162.6
[M+Na]+ 305.04522 171.6
[M-H]- 281.04872 168.5
[M+NH4]+ 300.08982 177.1
[M+K]+ 321.01916 164.3
[M+H-H2O]+ 265.05326 153.6
[M+HCOO]- 327.05420 178.9
[M+CH3COO]- 341.06985 174.0
[M+Na-2H]- 303.03067 165.6
[M]+ 282.05545 162.7
[M]- 282.05655 162.7
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

No patent data available for this compound.