CID 21803

Chlorpyrifos-methyl

Structural Information

Molecular Formula

C₇H₇Cl₃NO₃PS

SMILES

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

InChI

InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3

InChIKey

HRBKVYFZANMGRE-UHFFFAOYSA-N

Compound name

dimethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 231
References: 21060
Patents: 320.895 Da
Monoisotopic Mass: 4.3
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]+	321.902276	151.7
[M+Na]+	343.884218	163.0
[M-H]-	319.887724	153.4
[M+NH4]+	338.928823	168.1
[M+K]+	359.858158	158.5
[M+H-H2O]+	303.892260	146.3
[M+HCOO]-	365.893201	160.2
[M+CH3COO]-	379.908851	201.1
[M+Na-2H]-	341.869666	151.9
[M]+	320.89445142	161.0
[M]-	320.89554858	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe