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 193.5
[M+Na]+ 452.04269 198.6
[M-H]- 428.04619 200.8
[M+NH4]+ 447.08729 202.6
[M+K]+ 468.01663 192.6
[M+H-H2O]+ 412.05073 185.8
[M+HCOO]- 474.05167 203.9
[M+CH3COO]- 488.06732 224.5
[M+Na-2H]- 450.02814 193.1
[M]+ 429.05292 197.3
[M]- 429.05402 197.3
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.