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]+ 256.98079 144.4
[M+Na]+ 278.96273 158.7
[M-H]- 254.96623 153.1
[M+NH4]+ 274.00733 169.2
[M+K]+ 294.93667 149.2
[M+H-H2O]+ 238.97077 146.7
[M+HCOO]- 300.97171 164.1
[M+CH3COO]- 314.98736 191.0
[M+Na-2H]- 276.94818 151.4
[M]+ 255.97296 165.4
[M]- 255.97406 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.