CID 11030585

1-(5-bromofuran-2-yl)ethanone

Structural Information

Molecular Formula
C6H5BrO2
SMILES
CC(=O)C1=CC=C(O1)Br
InChI
InChI=1S/C6H5BrO2/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3
InChIKey
CASNGOWLOZSVMA-UHFFFAOYSA-N
Compound name
1-(5-bromofuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

187.9473 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.95458 131.9
[M+Na]+ 210.93652 134.5
[M+NH4]+ 205.98112 136.8
[M+K]+ 226.91046 137.1
[M-H]- 186.94002 132.6
[M+Na-2H]- 208.92197 134.1
[M]+ 187.94675 131.2
[M]- 187.94785 131.2
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