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
9
Annotation Hits

961
References

52563
Patents

316.99454 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.00182 162.8
[M+Na]+ 339.98376 172.0
[M-H]- 315.98726 165.0
[M+NH4]+ 335.02836 180.3
[M+K]+ 355.95770 168.5
[M+H-H2O]+ 299.99180 155.1
[M+HCOO]- 361.99274 179.6
[M+CH3COO]- 376.00839 202.3
[M+Na-2H]- 337.96921 161.5
[M]+ 316.99399 170.2
[M]- 316.99509 170.2
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.