CID 4304233

6-bromo-3-(bromoacetyl)-2h-chromen-2-one

Structural Information

Molecular Formula
C11H6Br2O3
SMILES
C1=CC2=C(C=C1Br)C=C(C(=O)O2)C(=O)CBr
InChI
InChI=1S/C11H6Br2O3/c12-5-9(14)8-4-6-3-7(13)1-2-10(6)16-11(8)15/h1-4H,5H2
InChIKey
DPCNZZCJPVCZHL-UHFFFAOYSA-N
Compound name
6-bromo-3-(2-bromoacetyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.86838 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.87566 147.8
[M+Na]+ 366.85760 159.3
[M-H]- 342.86110 156.0
[M+NH4]+ 361.90220 165.3
[M+K]+ 382.83154 145.6
[M+H-H2O]+ 326.86564 155.8
[M+HCOO]- 388.86658 162.8
[M+CH3COO]- 402.88223 209.2
[M+Na-2H]- 364.84305 155.7
[M]+ 343.86783 184.3
[M]- 343.86893 184.3
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

No patent data available for this compound.