CID 4321392

3-(4-chloroanilino)-1-(4-chlorophenyl)-1-propanone

Structural Information

Molecular Formula

C₁₅H₁₃Cl₂NO

SMILES

C1=CC(=CC=C1C(=O)CCNC2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H13Cl2NO/c16-12-3-1-11(2-4-12)15(19)9-10-18-14-7-5-13(17)6-8-14/h1-8,18H,9-10H2

InChIKey

FDASDCVLXFWBFE-UHFFFAOYSA-N

Compound name

3-(4-chloroanilino)-1-(4-chlorophenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.0374 Da
Monoisotopic Mass: 5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.044676	163.6
[M+Na]+	316.026618	172.0
[M-H]-	292.030124	169.4
[M+NH4]+	311.071223	180.0
[M+K]+	332.000558	165.0
[M+H-H2O]+	276.034660	157.6
[M+HCOO]-	338.035601	178.4
[M+CH3COO]-	352.051251	202.3
[M+Na-2H]-	314.012066	167.5
[M]+	293.03685142	166.8
[M]-	293.03794858	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.