CID 6433405

Brn 1290931

Structural Information

Molecular Formula
C14H11NO5
SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C2=C(C=CO2)[N+](=O)[O-]
InChI
InChI=1S/C14H11NO5/c1-19-11-4-2-10(3-5-11)13(16)6-7-14-12(15(17)18)8-9-20-14/h2-9H,1H3/b7-6+
InChIKey
SJWBPHHFYAYMKM-VOTSOKGWSA-N
Compound name
(E)-1-(4-methoxyphenyl)-3-(3-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

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07100 160.9
[M+Na]+ 296.05294 167.6
[M-H]- 272.05644 168.6
[M+NH4]+ 291.09754 176.3
[M+K]+ 312.02688 162.1
[M+H-H2O]+ 256.06098 158.4
[M+HCOO]- 318.06192 186.0
[M+CH3COO]- 332.07757 190.1
[M+Na-2H]- 294.03839 166.1
[M]+ 273.06317 162.8
[M]- 273.06427 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.