CID 3032346

Allyl p-chlorodithiocarbanilate

Structural Information

Molecular Formula

C₁₀H₁₀ClNS₂

SMILES

C=CCSC(=S)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H10ClNS2/c1-2-7-14-10(13)12-9-5-3-8(11)4-6-9/h2-6H,1,7H2,(H,12,13)

InChIKey

KSJWGECKBDEOKS-UHFFFAOYSA-N

Compound name

prop-2-enyl N-(4-chlorophenyl)carbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 242.99432 Da
Monoisotopic Mass: 3.9
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]+	244.00160	147.6
[M+Na]+	265.98354	155.8
[M-H]-	241.98704	151.2
[M+NH4]+	261.02814	166.5
[M+K]+	281.95748	148.5
[M+H-H2O]+	225.99158	142.8
[M+HCOO]-	287.99252	156.3
[M+CH3COO]-	302.00817	190.4
[M+Na-2H]-	263.96899	148.0
[M]+	242.99377	149.9
[M]-	242.99487	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe