CID 3700993

82628-82-8

Structural Information

Molecular Formula
C15H13NO6
SMILES
C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)[N+](=O)[O-]
InChI
InChI=1S/C15H13NO6/c17-11-7-13(19)15(14(20)8-11)12(18)6-3-9-1-4-10(5-2-9)16(21)22/h1-2,4-5,7-8,17,19-20H,3,6H2
InChIKey
VCSSZOJJYHKTRY-UHFFFAOYSA-N
Compound name
3-(4-nitrophenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

303.07428 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08156 165.7
[M+Na]+ 326.06350 178.5
[M+NH4]+ 321.10810 171.1
[M+K]+ 342.03744 176.7
[M-H]- 302.06700 168.4
[M+Na-2H]- 324.04895 170.9
[M]+ 303.07373 168.0
[M]- 303.07483 168.0
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

patents stripe