CID 4097730

882748-75-6

Structural Information

Molecular Formula
C21H17Cl2NO
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCNC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H17Cl2NO/c22-19-11-10-18(14-20(19)23)24-13-12-21(25)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14,24H,12-13H2
InChIKey
QRLKMVDSYMCXIG-UHFFFAOYSA-N
Compound name
3-(3,4-dichloroanilino)-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.06873 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.07601 185.6
[M+Na]+ 392.05795 193.6
[M-H]- 368.06145 194.1
[M+NH4]+ 387.10255 198.6
[M+K]+ 408.03189 185.1
[M+H-H2O]+ 352.06599 177.4
[M+HCOO]- 414.06693 199.6
[M+CH3COO]- 428.08258 195.8
[M+Na-2H]- 390.04340 188.0
[M]+ 369.06818 189.0
[M]- 369.06928 189.0
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.