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]+ 230.96514 143.7
[M+Na]+ 252.94708 155.1
[M-H]- 228.95058 149.5
[M+NH4]+ 247.99168 165.0
[M+K]+ 268.92102 145.6
[M+H-H2O]+ 212.95512 144.3
[M+HCOO]- 274.95606 163.4
[M+CH3COO]- 288.97171 182.8
[M+Na-2H]- 250.93253 148.2
[M]+ 229.95731 162.9
[M]- 229.95841 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.