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 165.8
[M+Na]+ 434.88382 175.3
[M-H]- 410.88732 171.9
[M+NH4]+ 429.92842 179.5
[M+K]+ 450.85776 158.6
[M+H-H2O]+ 394.89186 172.6
[M+HCOO]- 456.89280 177.9
[M+CH3COO]- 470.90845 214.5
[M+Na-2H]- 432.86927 168.1
[M]+ 411.89405 198.8
[M]- 411.89515 198.8
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.