CID 6447966

Brn 5581174

Structural Information

Molecular Formula
C16H13BrO5
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=C(C=C2O)O)Br)O
InChI
InChI=1S/C16H13BrO5/c1-22-16-6-9(3-5-13(16)19)2-4-12(18)10-7-11(17)15(21)8-14(10)20/h2-8,19-21H,1H3/b4-2+
InChIKey
GYOBHFTXODOIFL-DUXPYHPUSA-N
Compound name
(E)-1-(5-bromo-2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.99463 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.00191 172.6
[M+Na]+ 386.98385 176.0
[M+NH4]+ 382.02845 174.8
[M+K]+ 402.95779 176.8
[M-H]- 362.98735 172.6
[M+Na-2H]- 384.96930 174.6
[M]+ 363.99408 171.8
[M]- 363.99518 171.8
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

No patent data available for this compound.