CID 33994

1-(4-chlorophenyl)-2-((4-(dichloroacetyl)phenyl)amino)-2-hydroxyethanone

Structural Information

Molecular Formula
C16H12Cl3NO3
SMILES
C1=CC(=CC=C1C(=O)C(Cl)Cl)NC(C(=O)C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C16H12Cl3NO3/c17-11-5-1-10(2-6-11)14(22)16(23)20-12-7-3-9(4-8-12)13(21)15(18)19/h1-8,15-16,20,23H
InChIKey
CJMRPDOXSFRTJO-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-[4-(2,2-dichloroacetyl)anilino]-2-hydroxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.98828 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.99556 174.0
[M+Na]+ 393.97750 180.8
[M-H]- 369.98100 177.8
[M+NH4]+ 389.02210 186.4
[M+K]+ 409.95144 174.6
[M+H-H2O]+ 353.98554 169.5
[M+HCOO]- 415.98648 179.9
[M+CH3COO]- 430.00213 213.5
[M+Na-2H]- 391.96295 173.3
[M]+ 370.98773 177.1
[M]- 370.98883 177.1
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.