CID 292336

Phenyl phosphorodichloridothionate

Structural Information

Molecular Formula

C₆H₅Cl₂OPS

SMILES

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

InChI

InChI=1S/C6H5Cl2OPS/c7-10(8,11)9-6-4-2-1-3-5-6/h1-5H

InChIKey

ODPZLWXUWFTSEA-UHFFFAOYSA-N

Compound name

dichloro-phenoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 225.91757 Da
Monoisotopic Mass: 4.5
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]+	226.92485	136.4
[M+Na]+	248.90679	146.5
[M-H]-	224.91029	139.5
[M+NH4]+	243.95139	157.2
[M+K]+	264.88073	141.4
[M+H-H2O]+	208.91483	131.0
[M+HCOO]-	270.91577	151.5
[M+CH3COO]-	284.93142	183.3
[M+Na-2H]-	246.89224	139.0
[M]+	225.91702	141.6
[M]-	225.91812	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe