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 145.0
[M+Na]+ 344.87325 157.3
[M-H]- 320.87675 153.4
[M+NH4]+ 339.91785 167.9
[M+K]+ 360.84719 143.9
[M+H-H2O]+ 304.88129 155.7
[M+HCOO]- 366.88223 159.0
[M+CH3COO]- 380.89788 204.2
[M+Na-2H]- 342.85870 152.9
[M]+ 321.88348 179.9
[M]- 321.88458 179.9
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.