CID 43511767

7-bromo-5-methyl-2,3-dihydro-1-benzofuran-3-one

Structural Information

Molecular Formula
C9H7BrO2
SMILES
CC1=CC2=C(C(=C1)Br)OCC2=O
InChI
InChI=1S/C9H7BrO2/c1-5-2-6-8(11)4-12-9(6)7(10)3-5/h2-3H,4H2,1H3
InChIKey
WHRFNPSFAATWGJ-UHFFFAOYSA-N
Compound name
7-bromo-5-methyl-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.96294 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.97022 140.3
[M+Na]+ 248.95216 144.2
[M+NH4]+ 243.99676 146.0
[M+K]+ 264.92610 145.6
[M-H]- 224.95566 142.1
[M+Na-2H]- 246.93761 142.2
[M]+ 225.96239 140.2
[M]- 225.96349 140.2
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.