CID 14470619

5-bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran-3-one

Structural Information

Molecular Formula
C10H9BrO2
SMILES
CC1(C(=O)C2=C(O1)C=CC(=C2)Br)C
InChI
InChI=1S/C10H9BrO2/c1-10(2)9(12)7-5-6(11)3-4-8(7)13-10/h3-5H,1-2H3
InChIKey
KXZAVFBRFRKEFL-UHFFFAOYSA-N
Compound name
5-bromo-2,2-dimethyl-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

239.97859 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.985866 142.5
[M+Na]+ 262.967808 156.9
[M-H]- 238.971314 151.3
[M+NH4]+ 258.012413 167.9
[M+K]+ 278.941748 147.3
[M+H-H2O]+ 222.975850 144.6
[M+HCOO]- 284.976791 163.3
[M+CH3COO]- 298.992441 188.3
[M+Na-2H]- 260.953256 150.8
[M]+ 239.97804142 163.8
[M]- 239.97913858 163.8
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

patents stripe