CID 286678

S-(4-chlorophenyl) n-(3,4-dichlorophenyl)thiocarbamate

Structural Information

Molecular Formula
C13H8Cl3NOS
SMILES
C1=CC(=CC=C1SC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C13H8Cl3NOS/c14-8-1-4-10(5-2-8)19-13(18)17-9-3-6-11(15)12(16)7-9/h1-7H,(H,17,18)
InChIKey
GJFBRWHBAOSNMJ-UHFFFAOYSA-N
Compound name
S-(4-chlorophenyl) N-(3,4-dichlorophenyl)carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.9392 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.94648 165.1
[M+Na]+ 353.92842 175.0
[M-H]- 329.93192 170.9
[M+NH4]+ 348.97302 181.1
[M+K]+ 369.90236 167.7
[M+H-H2O]+ 313.93646 161.0
[M+HCOO]- 375.93740 170.2
[M+CH3COO]- 389.95305 176.2
[M+Na-2H]- 351.91387 165.9
[M]+ 330.93865 170.0
[M]- 330.93975 170.0
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.