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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.04468 163.6
[M+Na]+ 316.02662 172.0
[M-H]- 292.03012 169.4
[M+NH4]+ 311.07122 180.0
[M+K]+ 332.00056 165.0
[M+H-H2O]+ 276.03466 157.6
[M+HCOO]- 338.03560 178.4
[M+CH3COO]- 352.05125 202.3
[M+Na-2H]- 314.01207 167.5
[M]+ 293.03685 166.8
[M]- 293.03795 166.8
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.