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]+ 226.97022 141.0
[M+Na]+ 248.95216 154.0
[M-H]- 224.95566 149.2
[M+NH4]+ 243.99676 164.6
[M+K]+ 264.92610 144.5
[M+H-H2O]+ 208.96020 142.3
[M+HCOO]- 270.96114 162.1
[M+CH3COO]- 284.97679 184.9
[M+Na-2H]- 246.93761 149.1
[M]+ 225.96239 161.1
[M]- 225.96349 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.