CID 3524565

3-(3,4-dichloroanilino)-1-(4-methoxyphenyl)-1-propanone

Structural Information

Molecular Formula
C16H15Cl2NO2
SMILES
COC1=CC=C(C=C1)C(=O)CCNC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H15Cl2NO2/c1-21-13-5-2-11(3-6-13)16(20)8-9-19-12-4-7-14(17)15(18)10-12/h2-7,10,19H,8-9H2,1H3
InChIKey
CQVBAIPCLFFGCL-UHFFFAOYSA-N
Compound name
3-(3,4-dichloroanilino)-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.04797 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.05525 170.7
[M+Na]+ 346.03719 179.5
[M-H]- 322.04069 176.8
[M+NH4]+ 341.08179 186.2
[M+K]+ 362.01113 173.0
[M+H-H2O]+ 306.04523 164.5
[M+HCOO]- 368.04617 185.5
[M+CH3COO]- 382.06182 208.4
[M+Na-2H]- 344.02264 173.5
[M]+ 323.04742 176.1
[M]- 323.04852 176.1
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.