CID 886419

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

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2
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 160.3
[M+Na]+ 312.04784 166.4
[M-H]- 288.05134 164.8
[M+NH4]+ 307.09244 173.1
[M+K]+ 328.02178 159.5
[M+H-H2O]+ 272.05588 157.2
[M+HCOO]- 334.05682 182.5
[M+CH3COO]- 348.07247 189.9
[M+Na-2H]- 310.03329 165.6
[M]+ 289.05807 159.8
[M]- 289.05917 159.8
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

patents stripe