CID 121040

Bayer 56301

Structural Information

Molecular Formula
C14H16FN2O2PS
SMILES
CCOP(=S)(C1=CC=CC=C1)OC2=NC(=NC(=C2)C)CF
InChI
InChI=1S/C14H16FN2O2PS/c1-3-18-20(21,12-7-5-4-6-8-12)19-14-9-11(2)16-13(10-15)17-14/h4-9H,3,10H2,1-2H3
InChIKey
MYPVKSFKZINJCZ-UHFFFAOYSA-N
Compound name
ethoxy-[2-(fluoromethyl)-6-methylpyrimidin-4-yl]oxy-phenyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0654 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07268 171.6
[M+Na]+ 349.05462 183.9
[M+NH4]+ 344.09922 177.8
[M+K]+ 365.02856 175.6
[M-H]- 325.05812 172.4
[M+Na-2H]- 347.04007 178.3
[M]+ 326.06485 173.9
[M]- 326.06595 173.9
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.