CID 10286462

3-bromo-6-hydroxy-2-(4-hydroxyphenyl)-1h-inden-1-one

Structural Information

Molecular Formula
C15H9BrO3
SMILES
C1=CC(=CC=C1C2=C(C3=C(C2=O)C=C(C=C3)O)Br)O
InChI
InChI=1S/C15H9BrO3/c16-14-11-6-5-10(18)7-12(11)15(19)13(14)8-1-3-9(17)4-2-8/h1-7,17-18H
InChIKey
DHPCBFMFERFZLR-UHFFFAOYSA-N
Compound name
3-bromo-6-hydroxy-2-(4-hydroxyphenyl)inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

315.9735 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.98078 164.2
[M+Na]+ 338.96272 177.7
[M-H]- 314.96622 173.0
[M+NH4]+ 334.00732 184.4
[M+K]+ 354.93666 165.0
[M+H-H2O]+ 298.97076 164.6
[M+HCOO]- 360.97170 184.0
[M+CH3COO]- 374.98735 178.7
[M+Na-2H]- 336.94817 168.4
[M]+ 315.97295 183.5
[M]- 315.97405 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe