CID 76818

Isofenchlorfos

Structural Information

Molecular Formula

C₈H₁₀ClO₃PS

SMILES

COP(=O)(OC)SC1=CC=C(C=C1)Cl

InChI

InChI=1S/C8H10ClO3PS/c1-11-13(10,12-2)14-8-5-3-7(9)4-6-8/h3-6H,1-2H3

InChIKey

MUPYMRJBEZFVMT-UHFFFAOYSA-N

Compound name

1-chloro-4-dimethoxyphosphorylsulfanylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3528
References: 1597
Patents: 251.97768 Da
Monoisotopic Mass: 2.1
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]+	252.98496	146.5
[M+Na]+	274.96690	156.0
[M-H]-	250.97040	150.0
[M+NH4]+	270.01150	166.0
[M+K]+	290.94084	152.8
[M+H-H2O]+	234.97494	139.7
[M+HCOO]-	296.97588	166.6
[M+CH3COO]-	310.99153	189.6
[M+Na-2H]-	272.95235	148.5
[M]+	251.97713	154.8
[M]-	251.97823	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe