CID 81920

Teration

Structural Information

Molecular Formula

C₇H₁₇O₂PS₃

SMILES

CCOP(=S)(OC)SCCSCC

InChI

InChI=1S/C7H17O2PS3/c1-4-9-10(11,8-3)13-7-6-12-5-2/h4-7H2,1-3H3

InChIKey

MKHLSGKJYGBQLI-UHFFFAOYSA-N

Compound name

ethoxy-(2-ethylsulfanylethylsulfanyl)-methoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6726
Patents: 260.01282 Da
Monoisotopic Mass: 3.7
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]+	261.020096	150.1
[M+Na]+	283.002038	155.9
[M-H]-	259.005544	148.1
[M+NH4]+	278.046643	167.6
[M+K]+	298.975978	151.0
[M+H-H2O]+	243.010080	141.4
[M+HCOO]-	305.011021	161.3
[M+CH3COO]-	319.026671	194.8
[M+Na-2H]-	280.987486	147.2
[M]+	260.01227142	155.5
[M]-	260.01336858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe