CID 6434735

Acrylophenone, 3'-methoxy-3-(5-nitro-2-furyl)-

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]+ 274.070996 160.9
[M+Na]+ 296.052938 167.6
[M-H]- 272.056444 168.6
[M+NH4]+ 291.097543 176.3
[M+K]+ 312.026878 162.1
[M+H-H2O]+ 256.060980 158.4
[M+HCOO]- 318.061921 186.0
[M+CH3COO]- 332.077571 190.1
[M+Na-2H]- 294.038386 166.1
[M]+ 273.06317142 162.8
[M]- 273.06426858 162.8
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.