CID 6447575

2',4'-dihydroxy-5'-bromochalcone

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]+ 318.99645 163.1
[M+Na]+ 340.97839 173.8
[M-H]- 316.98189 169.9
[M+NH4]+ 336.02299 179.9
[M+K]+ 356.95233 160.8
[M+H-H2O]+ 300.98643 162.4
[M+HCOO]- 362.98737 181.6
[M+CH3COO]- 377.00302 197.7
[M+Na-2H]- 338.96384 167.1
[M]+ 317.98862 180.7
[M]- 317.98972 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.