CID 26927

Phoxim

Structural Information

Molecular Formula

C₁₂H₁₅N₂O₃PS

SMILES

CCOP(=S)(OCC)ON=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

InChIKey

ATROHALUCMTWTB-UHFFFAOYSA-N

Compound name

N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 246
References: 8815
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]+	299.061376	165.3
[M+Na]+	321.043318	173.0
[M-H]-	297.046824	168.7
[M+NH4]+	316.087923	180.1
[M+K]+	337.017258	171.1
[M+H-H2O]+	281.051360	149.6
[M+HCOO]-	343.052301	186.1
[M+CH3COO]-	357.067951	214.4
[M+Na-2H]-	319.028766	166.1
[M]+	298.05355142	166.4
[M]-	298.05464858	166.4

Literature stripe

literature stripe

Patent stripe

patents stripe