CID 6447572

Acrylophenone, 5'-bromo-2',4'-dihydroxy-3-(o-hydroxyphenyl)-

Structural Information

Molecular Formula
C15H11BrO4
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)C2=CC(=C(C=C2O)O)Br)O
InChI
InChI=1S/C15H11BrO4/c16-11-7-10(14(19)8-15(11)20)13(18)6-5-9-3-1-2-4-12(9)17/h1-8,17,19-20H/b6-5+
InChIKey
FEERWDUOJVFJQI-AATRIKPKSA-N
Compound name
(E)-1-(5-bromo-2,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.98407 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.99135 165.2
[M+Na]+ 356.97329 168.9
[M+NH4]+ 352.01789 168.1
[M+K]+ 372.94723 169.3
[M-H]- 332.97679 165.6
[M+Na-2H]- 354.95874 168.1
[M]+ 333.98352 164.5
[M]- 333.98462 164.5
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.