CID 6445046

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

Structural Information

Molecular Formula
C15H10Br2O4
SMILES
C1=CC(=C(C=C1O)O)C(=O)/C=C/C2=C(C(=CC(=C2)Br)Br)O
InChI
InChI=1S/C15H10Br2O4/c16-9-5-8(15(21)12(17)6-9)1-4-13(19)11-3-2-10(18)7-14(11)20/h1-7,18,20-21H/b4-1+
InChIKey
NOGALXAJDDMFDE-DAFODLJHSA-N
Compound name
(E)-3-(3,5-dibromo-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

411.8946 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.90188 169.0
[M+Na]+ 434.88382 164.3
[M+NH4]+ 429.92842 169.6
[M+K]+ 450.85776 170.8
[M-H]- 410.88732 169.5
[M+Na-2H]- 432.86927 169.6
[M]+ 411.89405 167.4
[M]- 411.89515 167.4
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.