CID 6447571

Brn 5577600

Structural Information

Molecular Formula
C15H11BrO5
SMILES
C1=CC(=C(C=C1/C=C/C(=O)C2=CC(=C(C=C2O)O)Br)O)O
InChI
InChI=1S/C15H11BrO5/c16-10-6-9(13(19)7-14(10)20)11(17)3-1-8-2-4-12(18)15(21)5-8/h1-7,18-21H/b3-1+
InChIKey
JKCCZUPHCDADMP-HNQUOIGGSA-N
Compound name
(E)-1-(5-bromo-2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.979 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.98628 168.6
[M+Na]+ 372.96822 179.3
[M-H]- 348.97172 173.3
[M+NH4]+ 368.01282 182.9
[M+K]+ 388.94216 166.2
[M+H-H2O]+ 332.97626 167.6
[M+HCOO]- 394.97720 184.2
[M+CH3COO]- 408.99285 200.1
[M+Na-2H]- 370.95367 170.4
[M]+ 349.97845 186.0
[M]- 349.97955 186.0
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

No patent data available for this compound.