CID 12959

756-80-9

Structural Information

Molecular Formula

C₂H₇O₂PS₂

SMILES

COP(=S)(OC)S

InChI

InChI=1S/C2H7O2PS2/c1-3-5(6,7)4-2/h1-2H3,(H,6,7)

InChIKey

CZGGKXNYNPJFAX-UHFFFAOYSA-N

Compound name

dimethoxy-sulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 52
References: 2054
Patents: 157.96251 Da
Monoisotopic Mass: 1.7
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]+	158.969786	124.5
[M+Na]+	180.951728	133.0
[M-H]-	156.955234	124.3
[M+NH4]+	175.996333	146.6
[M+K]+	196.925668	131.6
[M+H-H2O]+	140.959770	117.5
[M+HCOO]-	202.960711	143.1
[M+CH3COO]-	216.976361	174.5
[M+Na-2H]-	178.937176	124.8
[M]+	157.96196142	129.6
[M]-	157.96305858	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe