CID 4137896

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

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

38
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 136.2
[M+Na]+ 234.93652 149.6
[M-H]- 210.94002 144.5
[M+NH4]+ 229.98112 160.3
[M+K]+ 250.91046 140.4
[M+H-H2O]+ 194.94456 137.7
[M+HCOO]- 256.94550 157.6
[M+CH3COO]- 270.96115 182.0
[M+Na-2H]- 232.92197 144.8
[M]+ 211.94675 155.9
[M]- 211.94785 155.9
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