CID 5340254

299954-35-1

Structural Information

Molecular Formula
C19H12ClNO4
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)/C=C/C(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C19H12ClNO4/c20-14-7-5-13(6-8-14)18(22)11-9-15-10-12-19(25-15)16-3-1-2-4-17(16)21(23)24/h1-12H/b11-9+
InChIKey
QLPVTKAGDWQQDY-PKNBQFBNSA-N
Compound name
(E)-1-(4-chlorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.04547 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.05275 179.4
[M+Na]+ 376.03469 195.6
[M+NH4]+ 371.07929 187.1
[M+K]+ 392.00863 191.7
[M-H]- 352.03819 187.4
[M+Na-2H]- 374.02014 188.1
[M]+ 353.04492 184.3
[M]- 353.04602 184.3
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.