CID 129989027

5-bromo-2-formylfuran-3-carboxylic acid

Structural Information

Molecular Formula
C6H3BrO4
SMILES
C1=C(OC(=C1C(=O)O)C=O)Br
InChI
InChI=1S/C6H3BrO4/c7-5-1-3(6(9)10)4(2-8)11-5/h1-2H,(H,9,10)
InChIKey
WZXLZJYEHOSMLQ-UHFFFAOYSA-N
Compound name
5-bromo-2-formylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.92146 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.92874 134.6
[M+Na]+ 240.91068 147.7
[M-H]- 216.91418 141.0
[M+NH4]+ 235.95528 156.6
[M+K]+ 256.88462 138.7
[M+H-H2O]+ 200.91872 135.5
[M+HCOO]- 262.91966 156.1
[M+CH3COO]- 276.93531 180.0
[M+Na-2H]- 238.89613 141.0
[M]+ 217.92091 155.5
[M]- 217.92201 155.5
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.