CID 6433404

3-(5-nitro-2-furyl)acrylophenone

Structural Information

Molecular Formula
C13H9NO4
SMILES
C1=CC=C(C=C1)C(=O)/C=C\C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C13H9NO4/c15-12(10-4-2-1-3-5-10)8-6-11-7-9-13(18-11)14(16)17/h1-9H/b8-6-
InChIKey
ZLDNVNUDRJJGII-VURMDHGXSA-N
Compound name
(Z)-3-(5-nitrofuran-2-yl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.05316 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06044 151.7
[M+Na]+ 266.04238 164.8
[M+NH4]+ 261.08698 159.0
[M+K]+ 282.01632 163.3
[M-H]- 242.04588 156.9
[M+Na-2H]- 264.02783 158.3
[M]+ 243.05261 154.8
[M]- 243.05371 154.8
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.