CID 4393191

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

Structural Information

Molecular Formula
C16H15Cl2NO
SMILES
CC1=CC=C(C=C1)C(=O)CCNC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H15Cl2NO/c1-11-2-4-12(5-3-11)16(20)8-9-19-13-6-7-14(17)15(18)10-13/h2-7,10,19H,8-9H2,1H3
InChIKey
HSQZNZGAGJLBLX-UHFFFAOYSA-N
Compound name
3-(3,4-dichloroanilino)-1-(4-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.05307 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06035 168.9
[M+Na]+ 330.04229 184.8
[M+NH4]+ 325.08689 178.0
[M+K]+ 346.01623 175.1
[M-H]- 306.04579 174.1
[M+Na-2H]- 328.02774 178.0
[M]+ 307.05252 173.4
[M]- 307.05362 173.4
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.