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 167.4
[M+Na]+ 337.03822 174.9
[M-H]- 313.04172 170.8
[M+NH4]+ 332.08282 181.6
[M+K]+ 353.01216 173.7
[M+H-H2O]+ 297.04626 151.6
[M+HCOO]- 359.04720 188.5
[M+CH3COO]- 373.06285 215.6
[M+Na-2H]- 335.02367 168.6
[M]+ 314.04845 169.7
[M]- 314.04955 169.7
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.