CID 33990

Brn 2786243

Structural Information

Molecular Formula
C22H17Cl2NO4
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C(NC3=CC=C(C=C3)C(=O)C(Cl)Cl)O
InChI
InChI=1S/C22H17Cl2NO4/c23-21(24)19(26)14-6-10-16(11-7-14)25-22(28)20(27)15-8-12-18(13-9-15)29-17-4-2-1-3-5-17/h1-13,21-22,25,28H
InChIKey
FBJPVWAZTNGGLY-UHFFFAOYSA-N
Compound name
2-[4-(2,2-dichloroacetyl)anilino]-2-hydroxy-1-(4-phenoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.05347 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.06075 197.4
[M+Na]+ 452.04269 211.6
[M+NH4]+ 447.08729 204.0
[M+K]+ 468.01663 204.1
[M-H]- 428.04619 202.5
[M+Na-2H]- 450.02814 206.2
[M]+ 429.05292 201.4
[M]- 429.05402 201.4
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.