CID 5468169

Nsc665697

Structural Information

Molecular Formula
C15H12O5
SMILES
C1=CC(=C(C=C1/C=C/C(=O)C2=CC(=CC(=C2)O)O)O)O
InChI
InChI=1S/C15H12O5/c16-11-6-10(7-12(17)8-11)13(18)3-1-9-2-4-14(19)15(20)5-9/h1-8,16-17,19-20H/b3-1+
InChIKey
IMJNGPIIYAZDIH-HNQUOIGGSA-N
Compound name
(E)-3-(3,4-dihydroxyphenyl)-1-(3,5-dihydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

272.06848 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07576 158.9
[M+Na]+ 295.05770 166.8
[M-H]- 271.06120 161.1
[M+NH4]+ 290.10230 172.5
[M+K]+ 311.03164 161.9
[M+H-H2O]+ 255.06574 152.4
[M+HCOO]- 317.06668 177.2
[M+CH3COO]- 331.08233 189.5
[M+Na-2H]- 293.04315 160.6
[M]+ 272.06793 157.6
[M]- 272.06903 157.6
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