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

4
Annotation Hits: 4
References: 1469
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	141.7
[M+Na]+	237.01434	147.9
[M-H]-	213.01784	140.9
[M+NH4]+	232.05894	161.4
[M+K]+	252.98828	146.4
[M+H-H2O]+	197.02238	134.1
[M+HCOO]-	259.02332	157.0
[M+CH3COO]-	273.03897	187.8
[M+Na-2H]-	234.99979	138.5
[M]+	214.02457	147.2
[M]-	214.02567	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe