CID 12901

Phosmet

Structural Information

Molecular Formula

C₁₁H₁₂NO₄PS₂

SMILES

COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3

InChIKey

LMNZTLDVJIUSHT-UHFFFAOYSA-N

Compound name

2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 962
References: 41320
Patents: 316.99454 Da
Monoisotopic Mass: 2.8
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]+	318.00182	166.5
[M+Na]+	339.98376	175.4
[M+NH4]+	335.02836	173.0
[M+K]+	355.95770	169.0
[M-H]-	315.98726	165.7
[M+Na-2H]-	337.96921	167.7
[M]+	316.99399	168.2
[M]-	316.99509	168.2

Literature stripe

literature stripe

Patent stripe

patents stripe