CID 19016

3497-00-5

Structural Information

Molecular Formula

C₆H₅Cl₂PS

SMILES

C1=CC=C(C=C1)P(=S)(Cl)Cl

InChI

InChI=1S/C6H5Cl2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H

InChIKey

SXIWNIQDOJKDGB-UHFFFAOYSA-N

Compound name

dichloro-phenyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 421
Patents: 209.92267 Da
Monoisotopic Mass: 4.2
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]+	210.92995	133.4
[M+Na]+	232.91189	143.7
[M-H]-	208.91539	136.5
[M+NH4]+	227.95649	154.9
[M+K]+	248.88583	138.1
[M+H-H2O]+	192.91993	128.2
[M+HCOO]-	254.92087	148.3
[M+CH3COO]-	268.93652	181.4
[M+Na-2H]-	230.89734	135.8
[M]+	209.92212	137.3
[M]-	209.92322	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe