CID 167742661

1-(4-bromo-5-methylfuran-2-yl)ethan-1-one

Structural Information

Molecular Formula
C7H7BrO2
SMILES
CC1=C(C=C(O1)C(=O)C)Br
InChI
InChI=1S/C7H7BrO2/c1-4(9)7-3-6(8)5(2)10-7/h3H,1-2H3
InChIKey
VEPBBQTUNNAQHU-UHFFFAOYSA-N
Compound name
1-(4-bromo-5-methylfuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.96294 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.97022 134.8
[M+Na]+ 224.95216 148.1
[M-H]- 200.95566 142.5
[M+NH4]+ 219.99676 158.4
[M+K]+ 240.92610 139.4
[M+H-H2O]+ 184.96020 135.9
[M+HCOO]- 246.96114 156.9
[M+CH3COO]- 260.97679 182.2
[M+Na-2H]- 222.93761 141.1
[M]+ 201.96239 155.9
[M]- 201.96349 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

No patent data available for this compound.