CID 10045305

6,3'-dibromoflavone

Structural Information

Molecular Formula
C15H8Br2O2
SMILES
C1=CC(=CC(=C1)Br)C2=CC(=O)C3=C(O2)C=CC(=C3)Br
InChI
InChI=1S/C15H8Br2O2/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-8H
InChIKey
UIPGLQFPZVUUQW-UHFFFAOYSA-N
Compound name
6-bromo-2-(3-bromophenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

377.8891 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.89638 159.5
[M+Na]+ 400.87832 171.0
[M-H]- 376.88182 170.2
[M+NH4]+ 395.92292 176.0
[M+K]+ 416.85226 157.4
[M+H-H2O]+ 360.88636 167.3
[M+HCOO]- 422.88730 175.0
[M+CH3COO]- 436.90295 173.4
[M+Na-2H]- 398.86377 167.4
[M]+ 377.88855 195.3
[M]- 377.88965 195.3
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