CID 5146406

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

Structural Information

Molecular Formula
C16H16ClNO
SMILES
CC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H16ClNO/c1-12-2-4-13(5-3-12)16(19)10-11-18-15-8-6-14(17)7-9-15/h2-9,18H,10-11H2,1H3
InChIKey
MKPJNFHEQLOKTG-UHFFFAOYSA-N
Compound name
3-(4-chloroanilino)-1-(4-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.09204 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.09932 162.7
[M+Na]+ 296.08126 177.9
[M+NH4]+ 291.12586 171.9
[M+K]+ 312.05520 168.6
[M-H]- 272.08476 168.2
[M+Na-2H]- 294.06671 172.3
[M]+ 273.09149 166.8
[M]- 273.09259 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.