CID 15190684

4-(bromomethyl)-1,3-dihydro-2-benzofuran-1-one

Structural Information

Molecular Formula
C9H7BrO2
SMILES
C1C2=C(C=CC=C2C(=O)O1)CBr
InChI
InChI=1S/C9H7BrO2/c10-4-6-2-1-3-7-8(6)5-12-9(7)11/h1-3H,4-5H2
InChIKey
RJGYBUKBHQMOAJ-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.96294 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.970216 141.0
[M+Na]+ 248.952158 154.0
[M-H]- 224.955664 149.2
[M+NH4]+ 243.996763 164.6
[M+K]+ 264.926098 144.5
[M+H-H2O]+ 208.960200 142.3
[M+HCOO]- 270.961141 162.1
[M+CH3COO]- 284.976791 184.9
[M+Na-2H]- 246.937606 149.1
[M]+ 225.96239142 161.1
[M]- 225.96348858 161.1
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.