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 144.4
[M+Na]+ 254.96273 156.2
[M-H]- 230.96623 150.4
[M+NH4]+ 250.00733 165.9
[M+K]+ 270.93667 147.1
[M+H-H2O]+ 214.97077 145.6
[M+HCOO]- 276.97171 163.4
[M+CH3COO]- 290.98736 183.7
[M+Na-2H]- 252.94818 151.0
[M]+ 231.97296 164.5
[M]- 231.97406 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.