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]+ 273.042526 168.4
[M+Na]+ 295.024468 179.2
[M-H]- 271.027974 173.9
[M+NH4]+ 290.069073 183.3
[M+K]+ 310.998408 173.0
[M+H-H2O]+ 255.032510 155.3
[M+HCOO]- 317.033451 183.7
[M+CH3COO]- 331.049101 207.5
[M+Na-2H]- 293.009916 168.8
[M]+ 272.03470142 164.6
[M]- 272.03579858 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.