CID 722555

2-(4-chlorophenylthio)-3',4'-dichloroacetanilide

Structural Information

Molecular Formula
C14H10Cl3NOS
SMILES
C1=CC(=CC=C1SCC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C14H10Cl3NOS/c15-9-1-4-11(5-2-9)20-8-14(19)18-10-3-6-12(16)13(17)7-10/h1-7H,8H2,(H,18,19)
InChIKey
BCAHQPUWMYTMFP-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.95486 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.96214 169.2
[M+Na]+ 367.94408 178.6
[M-H]- 343.94758 174.7
[M+NH4]+ 362.98868 184.5
[M+K]+ 383.91802 171.0
[M+H-H2O]+ 327.95212 164.8
[M+HCOO]- 389.95306 173.9
[M+CH3COO]- 403.96871 208.2
[M+Na-2H]- 365.92953 169.5
[M]+ 344.95431 174.5
[M]- 344.95541 174.5
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.