CID 79021805

3-(5-bromofuran-2-yl)-2-methylprop-2-enoic acid

Structural Information

Molecular Formula
C8H7BrO3
SMILES
CC(=CC1=CC=C(O1)Br)C(=O)O
InChI
InChI=1S/C8H7BrO3/c1-5(8(10)11)4-6-2-3-7(9)12-6/h2-4H,1H3,(H,10,11)
InChIKey
ZGINPILGQVOXTL-UHFFFAOYSA-N
Compound name
3-(5-bromofuran-2-yl)-2-methylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.95786 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.965136 143.7
[M+Na]+ 252.947078 155.1
[M-H]- 228.950584 149.5
[M+NH4]+ 247.991683 165.0
[M+K]+ 268.921018 145.6
[M+H-H2O]+ 212.955120 144.3
[M+HCOO]- 274.956061 163.4
[M+CH3COO]- 288.971711 182.8
[M+Na-2H]- 250.932526 148.2
[M]+ 229.95731142 162.9
[M]- 229.95840858 162.9
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.