CID 63948188

2-(3-bromofuran-2-yl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C8H9BrO3
SMILES
CC(C)(C1=C(C=CO1)Br)C(=O)O
InChI
InChI=1S/C8H9BrO3/c1-8(2,7(10)11)6-5(9)3-4-12-6/h3-4H,1-2H3,(H,10,11)
InChIKey
VPDNXDLDUBBVBC-UHFFFAOYSA-N
Compound name
2-(3-bromofuran-2-yl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.97351 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.98079 144.3
[M+Na]+ 254.96273 145.4
[M+NH4]+ 250.00733 147.8
[M+K]+ 270.93667 149.3
[M-H]- 230.96623 143.5
[M+Na-2H]- 252.94818 144.9
[M]+ 231.97296 142.9
[M]- 231.97406 142.9
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.