CID 6504799

35944-88-8

Structural Information

Molecular Formula
C12H15N2O4PS
SMILES
CCOP(=O)(OCC)S/C(=N\OC1=CC=CC=C1)/C#N
InChI
InChI=1S/C12H15N2O4PS/c1-3-16-19(15,17-4-2)20-12(10-13)14-18-11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12-
InChIKey
ZFWVKOMXGHJNFD-OWBHPGMISA-N
Compound name
diethoxyphosphoryl (1Z)-1-cyano-N-phenoxymethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.049 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.05628 165.5
[M+Na]+ 337.03822 173.6
[M+NH4]+ 332.08282 168.0
[M+K]+ 353.01216 164.6
[M-H]- 313.04172 158.5
[M+Na-2H]- 335.02367 167.2
[M]+ 314.04845 164.0
[M]- 314.04955 164.0
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.