CID 25146

Dialifos

Structural Information

Molecular Formula

C₁₄H₁₇ClNO₄PS₂

SMILES

CCOP(=S)(OCC)SC(CCl)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C14H17ClNO4PS2/c1-3-19-21(22,20-4-2)23-12(9-15)16-13(17)10-7-5-6-8-11(10)14(16)18/h5-8,12H,3-4,9H2,1-2H3

InChIKey

MUMQYXACQUZOFP-UHFFFAOYSA-N

Compound name

2-(2-chloro-1-diethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 11
References: 11829
Patents: 393.0025 Da
Monoisotopic Mass: 3.8
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]+	394.009776	180.0
[M+Na]+	415.991718	188.1
[M-H]-	391.995224	182.2
[M+NH4]+	411.036323	195.4
[M+K]+	431.965658	183.2
[M+H-H2O]+	375.999760	173.1
[M+HCOO]-	438.000701	190.5
[M+CH3COO]-	452.016351	215.3
[M+Na-2H]-	413.977166	176.7
[M]+	393.00195142	189.7
[M]-	393.00304858	189.7

Literature stripe

literature stripe

Patent stripe

patents stripe