CID 33989

Brn 2777017

Structural Information

Molecular Formula
C17H15Cl2NO4
SMILES
COC1=CC=C(C=C1)C(=O)C(NC2=CC=C(C=C2)C(=O)C(Cl)Cl)O
InChI
InChI=1S/C17H15Cl2NO4/c1-24-13-8-4-11(5-9-13)15(22)17(23)20-12-6-2-10(3-7-12)14(21)16(18)19/h2-9,16-17,20,23H,1H3
InChIKey
YVVHEMUPORRIHV-UHFFFAOYSA-N
Compound name
2-[4-(2,2-dichloroacetyl)anilino]-2-hydroxy-1-(4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.0378 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.04508 176.9
[M+Na]+ 390.02702 183.1
[M-H]- 366.03052 181.7
[M+NH4]+ 385.07162 189.2
[M+K]+ 406.00096 178.1
[M+H-H2O]+ 350.03506 171.1
[M+HCOO]- 412.03600 187.8
[M+CH3COO]- 426.05165 213.9
[M+Na-2H]- 388.01247 176.5
[M]+ 367.03725 181.2
[M]- 367.03835 181.2
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.