CID 5388626

Nsc637321

Structural Information

Molecular Formula
C13H15ClNO3P
SMILES
CCOP(=O)(/C(=C/C1=CC=CC=C1Cl)/C#N)OCC
InChI
InChI=1S/C13H15ClNO3P/c1-3-17-19(16,18-4-2)12(10-15)9-11-7-5-6-8-13(11)14/h5-9H,3-4H2,1-2H3/b12-9+
InChIKey
UQVLNPQRRHEFRE-FMIVXFBMSA-N
Compound name
(E)-3-(2-chlorophenyl)-2-diethoxyphosphorylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.04782 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.05510 162.5
[M+Na]+ 322.03704 172.4
[M-H]- 298.04054 164.8
[M+NH4]+ 317.08164 177.8
[M+K]+ 338.01098 167.8
[M+H-H2O]+ 282.04508 149.0
[M+HCOO]- 344.04602 181.7
[M+CH3COO]- 358.06167 211.4
[M+Na-2H]- 320.02249 163.9
[M]+ 299.04727 163.9
[M]- 299.04837 163.9
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.