CID 201407

Thiopyrophosphoric acid, tetramethyl ester

Structural Information

Molecular Formula

C₄H₁₂O₆P₂S

SMILES

COP(=O)(OC)OP(=S)(OC)OC

InChI

InChI=1S/C4H12O6P2S/c1-6-11(5,7-2)10-12(13,8-3)9-4/h1-4H3

InChIKey

YOJYWCJJBFKIRJ-UHFFFAOYSA-N

Compound name

dimethoxyphosphinothioyl dimethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 249.98299 Da
Monoisotopic Mass: 0.7
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]+	250.99027	147.9
[M+Na]+	272.97221	155.2
[M-H]-	248.97571	146.4
[M+NH4]+	268.01681	166.5
[M+K]+	288.94615	156.6
[M+H-H2O]+	232.98025	138.4
[M+HCOO]-	294.98119	176.7
[M+CH3COO]-	308.99684	190.4
[M+Na-2H]-	270.95766	150.0
[M]+	249.98244	159.2
[M]-	249.98354	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe