CID 5388620

Nsc637314

Structural Information

Molecular Formula
C14H18NO4P
SMILES
CCOP(=O)(/C(=C/C1=CC=C(C=C1)OC)/C#N)OCC
InChI
InChI=1S/C14H18NO4P/c1-4-18-20(16,19-5-2)14(11-15)10-12-6-8-13(17-3)9-7-12/h6-10H,4-5H2,1-3H3/b14-10+
InChIKey
HXFBTHLWCBGXIF-GXDHUFHOSA-N
Compound name
(E)-2-diethoxyphosphoryl-3-(4-methoxyphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.09735 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10463 164.3
[M+Na]+ 318.08657 172.5
[M-H]- 294.09007 166.2
[M+NH4]+ 313.13117 178.6
[M+K]+ 334.06051 170.4
[M+H-H2O]+ 278.09461 149.4
[M+HCOO]- 340.09555 187.2
[M+CH3COO]- 354.11120 212.6
[M+Na-2H]- 316.07202 165.5
[M]+ 295.09680 165.2
[M]- 295.09790 165.2
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.