CID 9813852

15485-65-1

Structural Information

Molecular Formula
C14H12O5
SMILES
C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2O)O)O)O
InChI
InChI=1S/C14H12O5/c15-9-3-1-8(2-4-9)5-11(17)14-12(18)6-10(16)7-13(14)19/h1-4,6-7,15-16,18-19H,5H2
InChIKey
XYMPPRJBUSAOQA-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

20
Patents

260.06848 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07576 155.2
[M+Na]+ 283.05770 163.3
[M-H]- 259.06120 157.6
[M+NH4]+ 278.10230 169.4
[M+K]+ 299.03164 159.1
[M+H-H2O]+ 243.06574 148.9
[M+HCOO]- 305.06668 173.7
[M+CH3COO]- 319.08233 187.9
[M+Na-2H]- 281.04315 157.4
[M]+ 260.06793 154.4
[M]- 260.06903 154.4
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

patents stripe