CID 3071623

1-(2,4-dihydroxyphenyl)-2-(3-nitrophenoxy)ethanone

Structural Information

Molecular Formula
C14H11NO6
SMILES
C1=CC(=CC(=C1)OCC(=O)C2=C(C=C(C=C2)O)O)[N+](=O)[O-]
InChI
InChI=1S/C14H11NO6/c16-10-4-5-12(13(17)7-10)14(18)8-21-11-3-1-2-9(6-11)15(19)20/h1-7,16-17H,8H2
InChIKey
CXNRFGUEAKKRFT-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-2-(3-nitrophenoxy)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.05862 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06590 160.9
[M+Na]+ 312.04784 174.1
[M+NH4]+ 307.09244 166.9
[M+K]+ 328.02178 172.0
[M-H]- 288.05134 164.1
[M+Na-2H]- 310.03329 167.2
[M]+ 289.05807 163.4
[M]- 289.05917 163.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.