CID 5388629

Nsc637324

Structural Information

Molecular Formula
C14H15N2O3P
SMILES
CCOP(=O)(/C(=C/C1=CC=C(C=C1)C#N)/C#N)OCC
InChI
InChI=1S/C14H15N2O3P/c1-3-18-20(17,19-4-2)14(11-16)9-12-5-7-13(10-15)8-6-12/h5-9H,3-4H2,1-2H3/b14-9+
InChIKey
XCBUMIQYTBLTDG-NTEUORMPSA-N
Compound name
4-[(E)-2-cyano-2-diethoxyphosphorylethenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.08203 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08931 167.2
[M+Na]+ 313.07125 175.8
[M-H]- 289.07475 169.7
[M+NH4]+ 308.11585 177.8
[M+K]+ 329.04519 172.8
[M+H-H2O]+ 273.07929 150.5
[M+HCOO]- 335.08023 182.0
[M+CH3COO]- 349.09588 227.3
[M+Na-2H]- 311.05670 166.9
[M]+ 290.08148 162.3
[M]- 290.08258 162.3
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.