CID 6448147

Brn 5595548

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]+ 490.81238 163.2
[M+Na]+ 512.79432 169.5
[M-H]- 488.79782 168.0
[M+NH4]+ 507.83892 173.6
[M+K]+ 528.76826 153.8
[M+H-H2O]+ 472.80236 176.7
[M+HCOO]- 534.80330 170.2
[M+CH3COO]- 548.81895 230.0
[M+Na-2H]- 510.77977 164.3
[M]+ 489.80455 203.2
[M]- 489.80565 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.