CID 77323

Phosmet oxon

Structural Information

Molecular Formula
C11H12NO5PS
SMILES
COP(=O)(OC)SCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C11H12NO5PS/c1-16-18(15,17-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3
InChIKey
BEMXOWRVWRNPPL-UHFFFAOYSA-N
Compound name
2-(dimethoxyphosphorylsulfanylmethyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

48
Patents

301.0174 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.02468 161.1
[M+Na]+ 324.00662 170.3
[M-H]- 300.01012 163.8
[M+NH4]+ 319.05122 179.1
[M+K]+ 339.98056 168.6
[M+H-H2O]+ 284.01466 153.2
[M+HCOO]- 346.01560 183.3
[M+CH3COO]- 360.03125 200.0
[M+Na-2H]- 321.99207 161.5
[M]+ 301.01685 169.4
[M]- 301.01795 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.