CID 6448147

2,2',4'-trihydroxy-3,5,5'-tribromochalcone

Structural Information

Molecular Formula
C15H9Br3O4
SMILES
C1=C(C=C(C(=C1/C=C/C(=O)C2=CC(=C(C=C2O)O)Br)O)Br)Br
InChI
InChI=1S/C15H9Br3O4/c16-8-3-7(15(22)11(18)4-8)1-2-12(19)9-5-10(17)14(21)6-13(9)20/h1-6,20-22H/b2-1+
InChIKey
SIHMNQQYZIEFAH-OWOJBTEDSA-N
Compound name
(E)-1-(5-bromo-2,4-dihydroxyphenyl)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.8051 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.812376 163.2
[M+Na]+ 512.794318 169.5
[M-H]- 488.797824 168.0
[M+NH4]+ 507.838923 173.6
[M+K]+ 528.768258 153.8
[M+H-H2O]+ 472.802360 176.7
[M+HCOO]- 534.803301 170.2
[M+CH3COO]- 548.818951 230.0
[M+Na-2H]- 510.779766 164.3
[M]+ 489.80455142 203.2
[M]- 489.80564858 203.2
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.