CID 128600

6,4'-dihydroxy-3-methyl-3',5'-dibromoflavone

Structural Information

Molecular Formula
C16H10Br2O4
SMILES
CC1=C(OC2=C(C1=O)C=C(C=C2)O)C3=CC(=C(C(=C3)Br)O)Br
InChI
InChI=1S/C16H10Br2O4/c1-7-14(20)10-6-9(19)2-3-13(10)22-16(7)8-4-11(17)15(21)12(18)5-8/h2-6,19,21H,1H3
InChIKey
GKDYOXMZSXVKPP-UHFFFAOYSA-N
Compound name
2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxy-3-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

82
Patents

423.8946 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.90188 168.9
[M+Na]+ 446.88382 180.3
[M-H]- 422.88732 177.8
[M+NH4]+ 441.92842 182.9
[M+K]+ 462.85776 166.2
[M+H-H2O]+ 406.89186 175.8
[M+HCOO]- 468.89280 181.5
[M+CH3COO]- 482.90845 181.5
[M+Na-2H]- 444.86927 173.7
[M]+ 423.89405 204.9
[M]- 423.89515 204.9
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