CID 5712594

3-(2-furyl)-1-(4-nitrophenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C13H9NO4
SMILES
C1=COC(=C1)/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H9NO4/c15-13(8-7-12-2-1-9-18-12)10-3-5-11(6-4-10)14(16)17/h1-9H/b8-7+
InChIKey
IHVZZXXTLZVZKT-BQYQJAHWSA-N
Compound name
(E)-3-(furan-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.05316 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06044 153.5
[M+Na]+ 266.04238 160.1
[M-H]- 242.04588 161.1
[M+NH4]+ 261.08698 170.0
[M+K]+ 282.01632 154.2
[M+H-H2O]+ 226.05042 151.3
[M+HCOO]- 288.05136 178.9
[M+CH3COO]- 302.06701 183.9
[M+Na-2H]- 264.02783 159.7
[M]+ 243.05261 153.4
[M]- 243.05371 153.4
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.