CID 262235

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

Structural Information

Molecular Formula
C8H5BrO2
SMILES
C1C2=C(C=C(C=C2)Br)C(=O)O1
InChI
InChI=1S/C8H5BrO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2
InChIKey
BELKVKMBIAENSA-UHFFFAOYSA-N
Compound name
6-bromo-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

299
Patents

211.9473 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe