CID 507034

5-bromo-2,2-dimethyl-3h-benzofuran-4,7-dione

Structural Information

Molecular Formula
C10H9BrO3
SMILES
CC1(CC2=C(O1)C(=O)C=C(C2=O)Br)C
InChI
InChI=1S/C10H9BrO3/c1-10(2)4-5-8(13)6(11)3-7(12)9(5)14-10/h3H,4H2,1-2H3
InChIKey
ISAGYJVJSWBBJJ-UHFFFAOYSA-N
Compound name
5-bromo-2,2-dimethyl-3H-1-benzofuran-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.97351 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.980786 144.4
[M+Na]+ 278.962728 158.7
[M-H]- 254.966234 153.1
[M+NH4]+ 274.007333 169.2
[M+K]+ 294.936668 149.2
[M+H-H2O]+ 238.970770 146.7
[M+HCOO]- 300.971711 164.1
[M+CH3COO]- 314.987361 191.0
[M+Na-2H]- 276.948176 151.4
[M]+ 255.97296142 165.4
[M]- 255.97405858 165.4
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.