CID 28292

Edifenphos

Structural Information

Molecular Formula

C₁₄H₁₅O₂PS₂

SMILES

CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3

InChIKey

AWZOLILCOUMRDG-UHFFFAOYSA-N

Compound name

[ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 34
References: 34142
Patents: 310.02512 Da
Monoisotopic Mass: 3.8
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	162.0
[M+Na]+	333.01434	174.5
[M+NH4]+	328.05894	171.0
[M+K]+	348.98828	163.6
[M-H]-	309.01784	166.2
[M+Na-2H]-	330.99979	170.4
[M]+	310.02457	166.0
[M]-	310.02567	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe