CID 21804

Chlorpyrifos oxon

Structural Information

Molecular Formula

C₉H₁₁Cl₃NO₄P

SMILES

CCOP(=O)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C9H11Cl3NO4P/c1-3-15-18(14,16-4-2)17-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3

InChIKey

OTMOUPHCTWPNSL-UHFFFAOYSA-N

Compound name

diethyl (3,5,6-trichloropyridin-2-yl) phosphate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 245
References: 285
Patents: 332.94913 Da
Monoisotopic Mass: 3.5
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]+	333.95641	159.7
[M+Na]+	355.93835	170.8
[M-H]-	331.94185	160.6
[M+NH4]+	350.98295	175.1
[M+K]+	371.91229	166.7
[M+H-H2O]+	315.94639	153.5
[M+HCOO]-	377.94733	172.4
[M+CH3COO]-	391.96298	205.3
[M+Na-2H]-	353.92380	161.8
[M]+	332.94858	169.9
[M]-	332.94968	169.9

Literature stripe

literature stripe

Patent stripe

patents stripe