CID 3042992

54941-76-3

Structural Information

Molecular Formula
C16H10Cl2N2O
SMILES
C1=CC=C(C(=C1)C2=NC=CN2)C(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H10Cl2N2O/c17-13-6-5-10(9-14(13)18)15(21)11-3-1-2-4-12(11)16-19-7-8-20-16/h1-9H,(H,19,20)
InChIKey
ACHPJLVVPZRCSF-UHFFFAOYSA-N
Compound name
(3,4-dichlorophenyl)-[2-(1H-imidazol-2-yl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.01703 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.02431 168.7
[M+Na]+ 339.00625 179.0
[M-H]- 315.00975 174.2
[M+NH4]+ 334.05085 182.6
[M+K]+ 354.98019 170.6
[M+H-H2O]+ 299.01429 160.1
[M+HCOO]- 361.01523 179.8
[M+CH3COO]- 375.03088 179.6
[M+Na-2H]- 336.99170 170.2
[M]+ 316.01648 170.5
[M]- 316.01758 170.5
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.