CID 155666

71735-74-5

Structural Information

Molecular Formula

C₁₁H₂₃O₄PS₂

SMILES

CCOC(=O)CCSP(=S)(OC(C)C)OC(C)C

InChI

InChI=1S/C11H23O4PS2/c1-6-13-11(12)7-8-18-16(17,14-9(2)3)15-10(4)5/h9-10H,6-8H2,1-5H3

InChIKey

PMWHATAFABINDH-UHFFFAOYSA-N

Compound name

ethyl 3-di(propan-2-yloxy)phosphinothioylsulfanylpropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 553
Patents: 314.07755 Da
Monoisotopic Mass: 3.4
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]+	315.08483	169.0
[M+Na]+	337.06677	172.5
[M-H]-	313.07027	167.0
[M+NH4]+	332.11137	184.4
[M+K]+	353.04071	170.7
[M+H-H2O]+	297.07481	160.2
[M+HCOO]-	359.07575	182.4
[M+CH3COO]-	373.09140	205.4
[M+Na-2H]-	335.05222	163.5
[M]+	314.07700	177.6
[M]-	314.07810	177.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe