CID 2795076

2-bromo-1-(furan-2-yl)ethan-1-one

Structural Information

Molecular Formula
C6H5BrO2
SMILES
C1=COC(=C1)C(=O)CBr
InChI
InChI=1S/C6H5BrO2/c7-4-5(8)6-2-1-3-9-6/h1-3H,4H2
InChIKey
UIALGUXSAGHRLD-UHFFFAOYSA-N
Compound name
2-bromo-1-(furan-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

318
Patents

187.9473 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.954576 132.0
[M+Na]+ 210.936518 144.0
[M-H]- 186.940024 139.1
[M+NH4]+ 205.981123 155.5
[M+K]+ 226.910458 135.6
[M+H-H2O]+ 170.944560 132.9
[M+HCOO]- 232.945501 154.4
[M+CH3COO]- 246.961151 177.3
[M+Na-2H]- 208.921966 140.0
[M]+ 187.94675142 152.0
[M]- 187.94784858 152.0
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