CID 6447957

Brn 5569220

Structural Information

Molecular Formula
C15H11BrO4
SMILES
C1=CC(=C(C=C1O)O)C(=O)/C=C/C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C15H11BrO4/c16-10-2-6-13(18)9(7-10)1-5-14(19)12-4-3-11(17)8-15(12)20/h1-8,17-18,20H/b5-1+
InChIKey
RIGBIZDJWABQSB-ORCRQEGFSA-N
Compound name
(E)-3-(5-bromo-2-hydroxyphenyl)-1-(2,4-dihydroxyphenyl)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 165.9
[M+Na]+ 356.97329 176.6
[M-H]- 332.97679 171.7
[M+NH4]+ 352.01789 181.5
[M+K]+ 372.94723 163.5
[M+H-H2O]+ 316.98133 165.1
[M+HCOO]- 378.98227 183.0
[M+CH3COO]- 392.99792 198.8
[M+Na-2H]- 354.95874 168.8
[M]+ 333.98352 183.4
[M]- 333.98462 183.4
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.