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 171.3
[M+Na]+ 349.05462 179.6
[M-H]- 325.05812 173.1
[M+NH4]+ 344.09922 183.8
[M+K]+ 365.02856 175.0
[M+H-H2O]+ 309.06266 159.1
[M+HCOO]- 371.06360 191.3
[M+CH3COO]- 385.07925 206.5
[M+Na-2H]- 347.04007 171.2
[M]+ 326.06485 175.4
[M]- 326.06595 175.4
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.