CID 6446854

P-nitrophenyl ethyl phenylethylene phosphonate

Structural Information

Molecular Formula
C16H16NO5P
SMILES
CCOP(=O)(/C=C/C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H16NO5P/c1-2-21-23(20,13-12-14-6-4-3-5-7-14)22-16-10-8-15(9-11-16)17(18)19/h3-13H,2H2,1H3/b13-12+
InChIKey
LOAAVSXIKWMBQK-OUKQBFOZSA-N
Compound name
1-[ethoxy-[(E)-2-phenylethenyl]phosphoryl]oxy-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.0766 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.08388 172.1
[M+Na]+ 356.06582 184.9
[M+NH4]+ 351.11042 178.1
[M+K]+ 372.03976 181.3
[M-H]- 332.06932 175.6
[M+Na-2H]- 354.05127 179.4
[M]+ 333.07605 174.6
[M]- 333.07715 174.6
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.