CID 119015

36560-17-5

Structural Information

Molecular Formula

C₄H₇Cl₂O₃PS

SMILES

COP(=S)(OC)OC=C(Cl)Cl

InChI

InChI=1S/C4H7Cl2O3PS/c1-7-10(11,8-2)9-3-4(5)6/h3H,1-2H3

InChIKey

VQUPNPYNCGPGFQ-UHFFFAOYSA-N

Compound name

2,2-dichloroethenoxy-dimethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 235.92307 Da
Monoisotopic Mass: 3.2
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]+	236.930346	138.0
[M+Na]+	258.912288	147.2
[M-H]-	234.915794	138.1
[M+NH4]+	253.956893	158.5
[M+K]+	274.886228	143.8
[M+H-H2O]+	218.920330	133.8
[M+HCOO]-	280.921271	152.0
[M+CH3COO]-	294.936921	185.0
[M+Na-2H]-	256.897736	138.8
[M]+	235.92252142	146.3
[M]-	235.92361858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe