CID 12518113

52797-94-1

Structural Information

Molecular Formula

C₈H₁₉O₂PS₂

SMILES

CCC(C)SP(=O)(O)SC(C)CC

InChI

InChI=1S/C8H19O2PS2/c1-5-7(3)12-11(9,10)13-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,9,10)

InChIKey

CTSZRDMRQMEDBU-UHFFFAOYSA-N

Compound name

bis(butan-2-ylsulfanyl)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 242.05641 Da
Monoisotopic Mass: 2.4
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]+	243.06369	151.3
[M+Na]+	265.04563	156.1
[M-H]-	241.04913	148.5
[M+NH4]+	260.09023	169.1
[M+K]+	281.01957	153.2
[M+H-H2O]+	225.05367	143.5
[M+HCOO]-	287.05461	164.4
[M+CH3COO]-	301.07026	191.1
[M+Na-2H]-	263.03108	146.7
[M]+	242.05586	155.5
[M]-	242.05696	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe