CID 696730

Nsc287557

Structural Information

Molecular Formula
C13H8ClNO
SMILES
C1=COC(=C1)/C=C(/C#N)\C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H8ClNO/c14-12-5-3-10(4-6-12)11(9-15)8-13-2-1-7-16-13/h1-8H/b11-8-
InChIKey
QRCXABRYUUSBED-FLIBITNWSA-N
Compound name
(E)-2-(4-chlorophenyl)-3-(furan-2-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.02943 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.03671 150.1
[M+Na]+ 252.01865 164.0
[M+NH4]+ 247.06325 155.8
[M+K]+ 267.99259 154.7
[M-H]- 228.02215 147.6
[M+Na-2H]- 250.00410 155.4
[M]+ 229.02888 150.9
[M]- 229.02998 150.9
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.