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

10466
Patents

393.0025 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.00978 180.0
[M+Na]+ 415.99172 188.1
[M-H]- 391.99522 182.2
[M+NH4]+ 411.03632 195.4
[M+K]+ 431.96566 183.2
[M+H-H2O]+ 375.99976 173.1
[M+HCOO]- 438.00070 190.5
[M+CH3COO]- 452.01635 215.3
[M+Na-2H]- 413.97717 176.7
[M]+ 393.00195 189.7
[M]- 393.00305 189.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe