CID 5223209

68591-34-4

Structural Information

Molecular Formula

C₆H₄Cl₃OPS

SMILES

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

InChI

InChI=1S/C6H4Cl3OPS/c7-5-3-1-2-4-6(5)10-11(8,9)12/h1-4H

InChIKey

XAABCCJFMXULPX-UHFFFAOYSA-N

Compound name

dichloro-(2-chlorophenoxy)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 259.8786 Da
Monoisotopic Mass: 5.3
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]+	260.88588	140.7
[M+Na]+	282.86782	151.5
[M-H]-	258.87132	143.2
[M+NH4]+	277.91242	160.4
[M+K]+	298.84176	145.7
[M+H-H2O]+	242.87586	136.4
[M+HCOO]-	304.87680	150.4
[M+CH3COO]-	318.89245	189.8
[M+Na-2H]-	280.85327	142.0
[M]+	259.87805	146.2
[M]-	259.87915	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe