CID 475369

Schembl5065243

Structural Information

Molecular Formula

CH₆O₄P₂S₂

SMILES

C(P(=S)(O)O)P(=S)(O)O

InChI

InChI=1S/CH6O4P2S2/c2-6(3,8)1-7(4,5)9/h1H2,(H2,2,3,8)(H2,4,5,9)

InChIKey

KSNMZOVCBQCVML-UHFFFAOYSA-N

Compound name

dihydroxyphosphinothioylmethyl-dihydroxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 207.91827 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]+	208.92555	136.4
[M+Na]+	230.90749	142.4
[M-H]-	206.91099	128.9
[M+NH4]+	225.95209	153.3
[M+K]+	246.88143	138.1
[M+H-H2O]+	190.91553	127.4
[M+HCOO]-	252.91647	154.1
[M+CH3COO]-	266.93212	172.2
[M+Na-2H]-	228.89294	135.0
[M]+	207.91772	135.6
[M]-	207.91882	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe