CID 197063

Methylphosphonothiolate

Structural Information

Molecular Formula

SMILES

CP(=S)(O)O

InChI

InChI=1S/CH5O2PS/c1-4(2,3)5/h1H3,(H2,2,3,5)

InChIKey

WXJXBKBJAKPJRN-UHFFFAOYSA-N

Compound name

dihydroxy-methyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 2057
Patents: 111.974785 Da
Monoisotopic Mass: 0.1
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]+	112.98206	118.4
[M+Na]+	134.96400	126.8
[M-H]-	110.96751	115.7
[M+NH4]+	130.00861	140.9
[M+K]+	150.93794	125.4
[M+H-H2O]+	94.972045	112.8
[M+HCOO]-	156.97299	139.9
[M+CH3COO]-	170.98864	160.8
[M+Na-2H]-	132.94945	120.5
[M]+	111.97424	119.1
[M]-	111.97533	119.1

Literature stripe

literature stripe

Patent stripe

patents stripe