CID 7876

Isopropyl aerofloat

Structural Information

Molecular Formula

C₆H₁₅O₂PS₂

SMILES

CC(C)OP(=S)(OC(C)C)S

InChI

InChI=1S/C6H15O2PS2/c1-5(2)7-9(10,11)8-6(3)4/h5-6H,1-4H3,(H,10,11)

InChIKey

SZXCCXFNQHQRGF-UHFFFAOYSA-N

Compound name

di(propan-2-yloxy)-sulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 1347
Patents: 214.02512 Da
Monoisotopic Mass: 3.3
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]+	215.03240	144.6
[M+Na]+	237.01434	151.9
[M+NH4]+	232.05894	152.0
[M+K]+	252.98828	145.2
[M-H]-	213.01784	142.9
[M+Na-2H]-	234.99979	145.1
[M]+	214.02457	145.9
[M]-	214.02567	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe