CID 4053321

95886-08-1

Structural Information

Molecular Formula
C16H16ClNO2
SMILES
COC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H16ClNO2/c1-20-15-8-2-12(3-9-15)16(19)10-11-18-14-6-4-13(17)5-7-14/h2-9,18H,10-11H2,1H3
InChIKey
DJXAYUOJOBDLHR-UHFFFAOYSA-N
Compound name
3-(4-chloroanilino)-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.08694 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09422 165.6
[M+Na]+ 312.07616 180.3
[M+NH4]+ 307.12076 174.2
[M+K]+ 328.05010 171.6
[M-H]- 288.07966 170.6
[M+Na-2H]- 310.06161 174.7
[M]+ 289.08639 169.5
[M]- 289.08749 169.5
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.