CID 81038

Fensulfothion oxon

Structural Information

Molecular Formula

C₁₁H₁₇O₅PS

SMILES

CCOP(=O)(OCC)OC1=CC=C(C=C1)S(=O)C

InChI

InChI=1S/C11H17O5PS/c1-4-14-17(12,15-5-2)16-10-6-8-11(9-7-10)18(3)13/h6-9H,4-5H2,1-3H3

InChIKey

GNTVZNNILZKEIB-UHFFFAOYSA-N

Compound name

diethyl (4-methylsulfinylphenyl) phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 292.05344 Da
Monoisotopic Mass: 1.4
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]+	293.06072	161.5
[M+Na]+	315.04266	168.3
[M-H]-	291.04616	164.1
[M+NH4]+	310.08726	178.0
[M+K]+	331.01660	167.3
[M+H-H2O]+	275.05070	152.6
[M+HCOO]-	337.05164	184.6
[M+CH3COO]-	351.06729	198.9
[M+Na-2H]-	313.02811	161.6
[M]+	292.05289	170.4
[M]-	292.05399	170.4

Literature stripe

literature stripe

Patent stripe

patents stripe