CID 33991

Brn 2779838

Structural Information

Molecular Formula
C22H17Cl2NO3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C(NC3=CC=C(C=C3)C(=O)C(Cl)Cl)O
InChI
InChI=1S/C22H17Cl2NO3/c23-21(24)19(26)16-10-12-18(13-11-16)25-22(28)20(27)17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-13,21-22,25,28H
InChIKey
OAWNTQZRCKQVSY-UHFFFAOYSA-N
Compound name
2-[4-(2,2-dichloroacetyl)anilino]-2-hydroxy-1-(4-phenylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.05856 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.06584 191.3
[M+Na]+ 436.04778 196.6
[M-H]- 412.05128 198.5
[M+NH4]+ 431.09238 201.1
[M+K]+ 452.02172 189.8
[M+H-H2O]+ 396.05582 183.8
[M+HCOO]- 458.05676 201.5
[M+CH3COO]- 472.07241 222.4
[M+Na-2H]- 434.03323 190.8
[M]+ 413.05801 193.7
[M]- 413.05911 193.7
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.