CID 9570290

Phoxim

Structural Information

Molecular Formula

C₁₂H₁₅N₂O₃PS

SMILES

CCOP(=S)(OCC)O/N=C(\C#N)/C1=CC=CC=C1

InChI

InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+

InChIKey

ATROHALUCMTWTB-WYMLVPIESA-N

Compound name

(Z)-N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 243
References: 7777
Patents: 298.0541 Da
Monoisotopic Mass: 4.4
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]+	299.06138	165.3
[M+Na]+	321.04332	173.0
[M-H]-	297.04682	168.7
[M+NH4]+	316.08792	180.1
[M+K]+	337.01726	171.1
[M+H-H2O]+	281.05136	149.6
[M+HCOO]-	343.05230	186.1
[M+CH3COO]-	357.06795	214.4
[M+Na-2H]-	319.02877	166.1
[M]+	298.05355	166.4
[M]-	298.05465	166.4

Literature stripe

literature stripe

Patent stripe

patents stripe