CID 161967

Trifenofos

Structural Information

Molecular Formula

C₁₁H₁₄Cl₃O₃PS

SMILES

CCCSP(=O)(OCC)OC1=C(C=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C11H14Cl3O3PS/c1-3-5-19-18(15,16-4-2)17-11-9(13)6-8(12)7-10(11)14/h6-7H,3-5H2,1-2H3

InChIKey

JJSBMWMYKICVIZ-UHFFFAOYSA-N

Compound name

1,3,5-trichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5019
Patents: 361.9467 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]+	362.953976	166.6
[M+Na]+	384.935918	176.5
[M-H]-	360.939424	169.1
[M+NH4]+	379.980523	182.8
[M+K]+	400.909858	170.9
[M+H-H2O]+	344.943960	161.5
[M+HCOO]-	406.944901	175.3
[M+CH3COO]-	420.960551	209.9
[M+Na-2H]-	382.921366	165.0
[M]+	361.94615142	177.3
[M]-	361.94724858	177.3

Literature stripe

literature stripe

Patent stripe

patents stripe