CID 3032698

Carbanilic acid, 3,4-dichlorodithio-, p-chlorobenzyl ester

Structural Information

Molecular Formula
C14H10Cl3NS2
SMILES
C1=CC(=CC=C1CSC(=S)NC2=CC(=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C14H10Cl3NS2/c15-10-3-1-9(2-4-10)8-20-14(19)18-11-5-6-12(16)13(17)7-11/h1-7H,8H2,(H,18,19)
InChIKey
UYDZYLASGBBWIC-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)methyl N-(3,4-dichlorophenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.93204 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.93932 169.3
[M+Na]+ 383.92126 178.4
[M-H]- 359.92476 174.7
[M+NH4]+ 378.96586 184.3
[M+K]+ 399.89520 169.5
[M+H-H2O]+ 343.92930 165.6
[M+HCOO]- 405.93024 168.5
[M+CH3COO]- 419.94589 179.2
[M+Na-2H]- 381.90671 168.1
[M]+ 360.93149 173.5
[M]- 360.93259 173.5
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.