CID 6474381

Nsc643034

Structural Information

Molecular Formula
C11H14NO4P
SMILES
CCOP(=O)(/C(=C\C1=CC=CO1)/C#N)OCC
InChI
InChI=1S/C11H14NO4P/c1-3-15-17(13,16-4-2)11(9-12)8-10-6-5-7-14-10/h5-8H,3-4H2,1-2H3/b11-8-
InChIKey
RFSBJTNVKBBVCS-FLIBITNWSA-N
Compound name
(Z)-2-diethoxyphosphoryl-3-(furan-2-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06604 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07332 153.5
[M+Na]+ 278.05526 162.0
[M-H]- 254.05876 155.7
[M+NH4]+ 273.09986 169.4
[M+K]+ 294.02920 161.3
[M+H-H2O]+ 238.06330 139.0
[M+HCOO]- 300.06424 177.1
[M+CH3COO]- 314.07989 203.5
[M+Na-2H]- 276.04071 155.9
[M]+ 255.06549 154.1
[M]- 255.06659 154.1
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.