CID 77602

Fenchlorphos-oxon

Structural Information

Molecular Formula

C₈H₈Cl₃O₄P

SMILES

COP(=O)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C8H8Cl3O4P/c1-13-16(12,14-2)15-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3

InChIKey

XWMMHXRGYYPFAV-UHFFFAOYSA-N

Compound name

dimethyl (2,4,5-trichlorophenyl) phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 5
Patents: 303.92258 Da
Monoisotopic Mass: 3.3
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]+	304.92986	151.6
[M+Na]+	326.91180	163.4
[M-H]-	302.91530	154.2
[M+NH4]+	321.95640	169.5
[M+K]+	342.88574	159.4
[M+H-H2O]+	286.91984	147.0
[M+HCOO]-	348.92078	166.1
[M+CH3COO]-	362.93643	199.9
[M+Na-2H]-	324.89725	154.3
[M]+	303.92203	161.3
[M]-	303.92313	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe