CID 6434734

Brn 1259310

Structural Information

Molecular Formula
C14H11NO6
SMILES
COC1=C(C=CC(=C1)C(=O)/C=C\C2=CC=C(O2)[N+](=O)[O-])O
InChI
InChI=1S/C14H11NO6/c1-20-13-8-9(2-5-12(13)17)11(16)6-3-10-4-7-14(21-10)15(18)19/h2-8,17H,1H3/b6-3-
InChIKey
ZSGTZQZVSOFXOO-UTCJRWHESA-N
Compound name
(Z)-1-(4-hydroxy-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

289.05862 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06590 162.9
[M+Na]+ 312.04784 169.9
[M-H]- 288.05134 169.7
[M+NH4]+ 307.09244 177.2
[M+K]+ 328.02178 164.1
[M+H-H2O]+ 272.05588 160.8
[M+HCOO]- 334.05682 186.8
[M+CH3COO]- 348.07247 190.9
[M+Na-2H]- 310.03329 167.5
[M]+ 289.05807 164.8
[M]- 289.05917 164.8
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.