CID 5467565

Nsc655941

Structural Information

Molecular Formula
C11H14NO3PS
SMILES
CCOP(=O)(/C(=C/C1=CC=CS1)/C#N)OCC
InChI
InChI=1S/C11H14NO3PS/c1-3-14-16(13,15-4-2)10(9-12)8-11-6-5-7-17-11/h5-8H,3-4H2,1-2H3/b10-8+
InChIKey
QSVFXFMDGBBFRQ-CSKARUKUSA-N
Compound name
(E)-2-diethoxyphosphoryl-3-thiophen-2-ylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0432 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05048 161.2
[M+Na]+ 294.03242 170.1
[M-H]- 270.03592 164.0
[M+NH4]+ 289.07702 178.6
[M+K]+ 310.00636 167.8
[M+H-H2O]+ 254.04046 146.8
[M+HCOO]- 316.04140 181.0
[M+CH3COO]- 330.05705 204.9
[M+Na-2H]- 292.01787 159.9
[M]+ 271.04265 162.1
[M]- 271.04375 162.1
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.