CID 205447

17963-69-8

Structural Information

Molecular Formula
C16H16NO2PS
SMILES
CCOP(=S)(C1=CC=C(C=C1)C)OC2=CC=C(C=C2)C#N
InChI
InChI=1S/C16H16NO2PS/c1-3-18-20(21,16-10-4-13(2)5-11-16)19-15-8-6-14(12-17)7-9-15/h4-11H,3H2,1-2H3
InChIKey
XFKKPERTAQYQGY-UHFFFAOYSA-N
Compound name
4-[ethoxy-(4-methylphenyl)phosphinothioyl]oxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.06393 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07121 167.0
[M+Na]+ 340.05315 179.5
[M+NH4]+ 335.09775 171.6
[M+K]+ 356.02709 167.9
[M-H]- 316.05665 163.3
[M+Na-2H]- 338.03860 172.2
[M]+ 317.06338 167.4
[M]- 317.06448 167.4
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.