CID 33995

Brn 2786244

Structural Information

Molecular Formula
C22H17Cl2NO3S
SMILES
C1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)C(NC3=CC=C(C=C3)C(=O)C(Cl)Cl)O
InChI
InChI=1S/C22H17Cl2NO3S/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
PAYGTVAPNYYYMC-UHFFFAOYSA-N
Compound name
2-[4-(2,2-dichloroacetyl)anilino]-2-hydroxy-1-(4-phenylsulfanylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.0306 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.03788 195.3
[M+Na]+ 468.01982 200.4
[M-H]- 444.02332 202.7
[M+NH4]+ 463.06442 204.5
[M+K]+ 483.99376 193.1
[M+H-H2O]+ 428.02786 188.5
[M+HCOO]- 490.02880 200.7
[M+CH3COO]- 504.04445 225.6
[M+Na-2H]- 466.00527 193.6
[M]+ 445.03005 199.9
[M]- 445.03115 199.9
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.