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 168.4
[M+Na]+ 295.02447 179.2
[M-H]- 271.02797 173.9
[M+NH4]+ 290.06907 183.3
[M+K]+ 310.99841 173.0
[M+H-H2O]+ 255.03251 155.3
[M+HCOO]- 317.03345 183.7
[M+CH3COO]- 331.04910 207.5
[M+Na-2H]- 293.00992 168.8
[M]+ 272.03470 164.6
[M]- 272.03580 164.6
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.