CID 198665

Phosphonothioic acid, butyl-, o,s-dimethyl ester

Structural Information

Molecular Formula

C₆H₁₅O₂PS

SMILES

CCCCP(=O)(OC)SC

InChI

InChI=1S/C6H15O2PS/c1-4-5-6-9(7,8-2)10-3/h4-6H2,1-3H3

InChIKey

MBBWHUDMOAASLP-UHFFFAOYSA-N

Compound name

1-[methoxy(methylsulfanyl)phosphoryl]butane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.05304 Da
Monoisotopic Mass: 1.1
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]+	183.060316	139.3
[M+Na]+	205.042258	146.7
[M-H]-	181.045764	138.8
[M+NH4]+	200.086863	160.7
[M+K]+	221.016198	145.9
[M+H-H2O]+	165.050300	132.3
[M+HCOO]-	227.051241	162.4
[M+CH3COO]-	241.066891	181.5
[M+Na-2H]-	203.027706	140.1
[M]+	182.05249142	145.8
[M]-	182.05358858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.