CID 5795340

3,8-dibromo-7-hydroxy-4-methyl-2h-chromen-2-one

Structural Information

Molecular Formula
C10H6Br2O3
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2Br)O)Br
InChI
InChI=1S/C10H6Br2O3/c1-4-5-2-3-6(13)8(12)9(5)15-10(14)7(4)11/h2-3,13H,1H3
InChIKey
MSOLROYRAHCJNK-UHFFFAOYSA-N
Compound name
3,8-dibromo-7-hydroxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

18
Patents

331.86838 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.87566 144.3
[M+Na]+ 354.85760 157.0
[M-H]- 330.86110 152.1
[M+NH4]+ 349.90220 162.2
[M+K]+ 370.83154 142.9
[M+H-H2O]+ 314.86564 152.5
[M+HCOO]- 376.86658 158.9
[M+CH3COO]- 390.88223 206.9
[M+Na-2H]- 352.84305 152.1
[M]+ 331.86783 180.6
[M]- 331.86893 180.6
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