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]+ 232.980786 144.4
[M+Na]+ 254.962728 156.2
[M-H]- 230.966234 150.4
[M+NH4]+ 250.007333 165.9
[M+K]+ 270.936668 147.1
[M+H-H2O]+ 214.970770 145.6
[M+HCOO]- 276.971711 163.4
[M+CH3COO]- 290.987361 183.7
[M+Na-2H]- 252.948176 151.0
[M]+ 231.97296142 164.5
[M]- 231.97405858 164.5
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.