CID 17519

Trichlormetaphos-3

Structural Information

Molecular Formula

C₉H₁₀Cl₃O₃PS

SMILES

CCOP(=S)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C9H10Cl3O3PS/c1-3-14-16(17,13-2)15-9-5-7(11)6(10)4-8(9)12/h4-5H,3H2,1-2H3

InChIKey

HBKPGGUHRZPDIE-UHFFFAOYSA-N

Compound name

ethoxy-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 4868
Patents: 333.91537 Da
Monoisotopic Mass: 5.4
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]+	334.92265	157.5
[M+Na]+	356.90459	168.3
[M-H]-	332.90809	160.4
[M+NH4]+	351.94919	174.8
[M+K]+	372.87853	163.1
[M+H-H2O]+	316.91263	152.9
[M+HCOO]-	378.91357	166.9
[M+CH3COO]-	392.92922	204.3
[M+Na-2H]-	354.89004	156.9
[M]+	333.91482	167.6
[M]-	333.91592	167.6

Literature stripe

literature stripe

Patent stripe

patents stripe