CID 4137896

519018-52-1

Structural Information

Molecular Formula
C8H5BrO2
SMILES
C1C(=O)C2=C(O1)C(=CC=C2)Br
InChI
InChI=1S/C8H5BrO2/c9-6-3-1-2-5-7(10)4-11-8(5)6/h1-3H,4H2
InChIKey
MGCVLLXCJNKGCS-UHFFFAOYSA-N
Compound name
7-bromo-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

211.9473 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.95458 136.4
[M+Na]+ 234.93652 140.1
[M+NH4]+ 229.98112 142.2
[M+K]+ 250.91046 141.6
[M-H]- 210.94002 138.2
[M+Na-2H]- 232.92197 138.7
[M]+ 211.94675 136.2
[M]- 211.94785 136.2
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

patents stripe