CID 87419

Chemagro r-5639

Structural Information

Molecular Formula

C₆H₁₅OPS₂

SMILES

CCP(=O)(SCC)SCC

InChI

InChI=1S/C6H15OPS2/c1-4-8(7,9-5-2)10-6-3/h4-6H2,1-3H3

InChIKey

JACPDPNUDAAICS-UHFFFAOYSA-N

Compound name

1-bis(ethylsulfanyl)phosphorylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 198.0302 Da
Monoisotopic Mass: 1.4
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]+	199.03748	138.7
[M+Na]+	221.01942	145.7
[M-H]-	197.02292	137.9
[M+NH4]+	216.06402	159.4
[M+K]+	236.99336	143.0
[M+H-H2O]+	181.02746	131.1
[M+HCOO]-	243.02840	155.9
[M+CH3COO]-	257.04405	184.4
[M+Na-2H]-	219.00487	137.0
[M]+	198.02965	143.9
[M]-	198.03075	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe