CID 6447575

78080-69-0

Structural Information

Molecular Formula
C15H11BrO3
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2O)O)Br
InChI
InChI=1S/C15H11BrO3/c16-12-8-11(14(18)9-15(12)19)13(17)7-6-10-4-2-1-3-5-10/h1-9,18-19H/b7-6+
InChIKey
FYLRKWMCNOXBKR-VOTSOKGWSA-N
Compound name
(E)-1-(5-bromo-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.98917 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.996446 163.1
[M+Na]+ 340.978388 173.8
[M-H]- 316.981894 169.9
[M+NH4]+ 336.022993 179.9
[M+K]+ 356.952328 160.8
[M+H-H2O]+ 300.986430 162.4
[M+HCOO]- 362.987371 181.6
[M+CH3COO]- 377.003021 197.7
[M+Na-2H]- 338.963836 167.1
[M]+ 317.98862142 180.7
[M]- 317.98971858 180.7
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.