CID 14580564

Tm-ch2oh

Structural Information

Molecular Formula

C₉H₁₁Cl₂O₄PS

SMILES

COP(=S)(OC)OC1=C(C=C(C=C1Cl)CO)Cl

InChI

InChI=1S/C9H11Cl2O4PS/c1-13-16(17,14-2)15-9-7(10)3-6(5-12)4-8(9)11/h3-4,12H,5H2,1-2H3

InChIKey

REWCDDUQIBGEJX-UHFFFAOYSA-N

Compound name

(3,5-dichloro-4-dimethoxyphosphinothioyloxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 315.94928 Da
Monoisotopic Mass: 3.4
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]+	316.956556	155.9
[M+Na]+	338.938498	166.2
[M-H]-	314.942004	158.2
[M+NH4]+	333.983103	173.1
[M+K]+	354.912438	161.4
[M+H-H2O]+	298.946540	150.6
[M+HCOO]-	360.947481	169.5
[M+CH3COO]-	374.963131	198.9
[M+Na-2H]-	336.923946	156.0
[M]+	315.94873142	165.8
[M]-	315.94982858	165.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.