CID 8381

Pyridaphenthion

Structural Information

Molecular Formula
C14H17N2O4PS
SMILES
CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2
InChI
InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChIKey
CXJSOEPQXUCJSA-UHFFFAOYSA-N
Compound name
6-diethoxyphosphinothioyloxy-2-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

21
References

19596
Patents

340.06467 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.07195 174.1
[M+Na]+ 363.05389 182.0
[M-H]- 339.05739 177.2
[M+NH4]+ 358.09849 185.7
[M+K]+ 379.02783 178.5
[M+H-H2O]+ 323.06193 162.5
[M+HCOO]- 385.06287 195.7
[M+CH3COO]- 399.07852 207.3
[M+Na-2H]- 361.03934 175.1
[M]+ 340.06412 181.2
[M]- 340.06522 181.2
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.