CID 162177

Cresyl aerofloat

Structural Information

Molecular Formula

C₁₄H₁₅O₂PS₂

SMILES

CC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2C)S

InChI

InChI=1S/C14H15O2PS2/c1-11-7-3-5-9-13(11)15-17(18,19)16-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H,18,19)

InChIKey

DFVPPGZSXADRCW-UHFFFAOYSA-N

Compound name

bis(2-methylphenoxy)-sulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 310.02512 Da
Monoisotopic Mass: 6.0
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]+	311.03240	163.1
[M+Na]+	333.01434	176.3
[M+NH4]+	328.05894	172.1
[M+K]+	348.98828	165.7
[M-H]-	309.01784	167.3
[M+Na-2H]-	330.99979	171.0
[M]+	310.02457	167.3
[M]-	310.02567	167.3

Literature stripe

literature stripe

Patent stripe

patents stripe