CID 82069

7595-89-3

Structural Information

Molecular Formula

C₁₄H₁₅O₂PS₂

SMILES

CC1=CC(=CC=C1)OP(=S)(OC2=CC=CC(=C2)C)S

InChI

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

InChIKey

GKNITEVWPONLFV-UHFFFAOYSA-N

Compound name

bis(3-methylphenoxy)-sulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
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]+	311.032396	163.0
[M+Na]+	333.014338	171.3
[M-H]-	309.017844	168.7
[M+NH4]+	328.058943	179.1
[M+K]+	348.988278	166.1
[M+H-H2O]+	293.022380	153.4
[M+HCOO]-	355.023321	181.6
[M+CH3COO]-	369.038971	203.0
[M+Na-2H]-	330.999786	162.1
[M]+	310.02457142	167.9
[M]-	310.02566858	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe