CID 166790

13289-13-9

Structural Information

Molecular Formula

C₃H₈ClO₂PS

SMILES

CCOP(=S)(OC)Cl

InChI

InChI=1S/C3H8ClO2PS/c1-3-6-7(4,8)5-2/h3H2,1-2H3

InChIKey

BYHUURFQWCMINB-UHFFFAOYSA-N

Compound name

chloro-ethoxy-methoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 173.96712 Da
Monoisotopic Mass: 2.3
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]+	174.97440	128.9
[M+Na]+	196.95634	138.3
[M-H]-	172.95984	129.2
[M+NH4]+	192.00094	151.5
[M+K]+	212.93028	136.2
[M+H-H2O]+	156.96438	123.7
[M+HCOO]-	218.96532	148.5
[M+CH3COO]-	232.98097	176.3
[M+Na-2H]-	194.94179	131.1
[M]+	173.96657	136.0
[M]-	173.96767	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe