CID 5467228

Diethyl m-phenoxy-.alpha.-phosphonocinnamonitrile

Structural Information

Molecular Formula
C19H20NO4P
SMILES
CCOP(=O)(/C(=C/C1=CC(=CC=C1)OC2=CC=CC=C2)/C#N)OCC
InChI
InChI=1S/C19H20NO4P/c1-3-22-25(21,23-4-2)19(15-20)14-16-9-8-12-18(13-16)24-17-10-6-5-7-11-17/h5-14H,3-4H2,1-2H3/b19-14+
InChIKey
TZOXEPZMNSBJBS-XMHGGMMESA-N
Compound name
(E)-2-diethoxyphosphoryl-3-(3-phenoxyphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.113 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12028 184.2
[M+Na]+ 380.10222 191.7
[M-H]- 356.10572 187.8
[M+NH4]+ 375.14682 195.5
[M+K]+ 396.07616 187.0
[M+H-H2O]+ 340.11026 167.4
[M+HCOO]- 402.11120 206.5
[M+CH3COO]- 416.12685 222.2
[M+Na-2H]- 378.08767 184.5
[M]+ 357.11245 183.6
[M]- 357.11355 183.6
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.