CID 21156151

Dtxsid30888691

Structural Information

Molecular Formula
C9H8Br2O3
SMILES
CC1=CCC2(C(=O)OC(=O)C2(C1)Br)Br
InChI
InChI=1S/C9H8Br2O3/c1-5-2-3-8(10)6(12)14-7(13)9(8,11)4-5/h2H,3-4H2,1H3
InChIKey
FOXMCKJTAHVAKV-UHFFFAOYSA-N
Compound name
3a,7a-dibromo-5-methyl-4,7-dihydro-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.88403 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.89131 162.0
[M+Na]+ 344.87325 155.6
[M+NH4]+ 339.91785 165.2
[M+K]+ 360.84719 161.3
[M-H]- 320.87675 162.6
[M+Na-2H]- 342.85870 162.0
[M]+ 321.88348 160.3
[M]- 321.88458 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.