CID 6434735

Brn 1255078

Structural Information

Molecular Formula
C14H11NO5
SMILES
COC1=CC=CC(=C1)C(=O)/C=C\C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C14H11NO5/c1-19-12-4-2-3-10(9-12)13(16)7-5-11-6-8-14(20-11)15(17)18/h2-9H,1H3/b7-5-
InChIKey
KDXAFDLTGZVTEM-ALCCZGGFSA-N
Compound name
(Z)-1-(3-methoxyphenyl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.06372 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07100 159.0
[M+Na]+ 296.05294 171.7
[M+NH4]+ 291.09754 165.5
[M+K]+ 312.02688 170.8
[M-H]- 272.05644 163.7
[M+Na-2H]- 294.03839 164.6
[M]+ 273.06317 161.8
[M]- 273.06427 161.8
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.