CID 3032349

P-chlorobenzyl p-chlorodithiocarbanilate

Structural Information

Molecular Formula

C₁₄H₁₁Cl₂NS₂

SMILES

C1=CC(=CC=C1CSC(=S)NC2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H11Cl2NS2/c15-11-3-1-10(2-4-11)9-19-14(18)17-13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)

InChIKey

BGGLDGUKEPSQGV-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)methyl N-(4-chlorophenyl)carbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 326.971 Da
Monoisotopic Mass: 5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	327.978276	164.5
[M+Na]+	349.960218	173.4
[M-H]-	325.963724	170.7
[M+NH4]+	345.004823	180.6
[M+K]+	365.934158	164.5
[M+H-H2O]+	309.968260	159.7
[M+HCOO]-	371.969201	168.9
[M+CH3COO]-	385.984851	175.3
[M+Na-2H]-	347.945666	164.8
[M]+	326.97045142	168.3
[M]-	326.97154858	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.