CID 79819

Agvitor

Structural Information

Molecular Formula

C₁₀H₁₂Cl₃OPS

SMILES

CCP(=S)(CC)OC1=CC(=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C10H12Cl3OPS/c1-3-15(16,4-2)14-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3

InChIKey

DOWAVBYFZFKXCW-UHFFFAOYSA-N

Compound name

diethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 315.9412 Da
Monoisotopic Mass: 5.2
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]+	316.94848	157.5
[M+Na]+	338.93042	168.2
[M-H]-	314.93392	160.0
[M+NH4]+	333.97502	175.6
[M+K]+	354.90436	161.6
[M+H-H2O]+	298.93846	152.8
[M+HCOO]-	360.93940	165.9
[M+CH3COO]-	374.95505	203.3
[M+Na-2H]-	336.91587	155.7
[M]+	315.94065	165.1
[M]-	315.94175	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe