CID 710423

301691-18-9

Structural Information

Molecular Formula
C14H9ClN2O2
SMILES
C1=CC(=CC(=C1)Cl)C2=CC=C(O2)/C=C(\C#N)/C(=O)N
InChI
InChI=1S/C14H9ClN2O2/c15-11-3-1-2-9(6-11)13-5-4-12(19-13)7-10(8-16)14(17)18/h1-7H,(H2,17,18)/b10-7+
InChIKey
SCICCTQWOXUTCQ-JXMROGBWSA-N
Compound name
(E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

272.03525 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.04253 161.7
[M+Na]+ 295.02447 173.4
[M+NH4]+ 290.06907 165.6
[M+K]+ 310.99841 165.8
[M-H]- 271.02797 158.3
[M+Na-2H]- 293.00992 164.8
[M]+ 272.03470 161.7
[M]- 272.03580 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.