CID 165703375

2-(4-bromofuran-2-yl)-2-oxoacetic acid

Structural Information

Molecular Formula
C6H3BrO4
SMILES
C1=C(OC=C1Br)C(=O)C(=O)O
InChI
InChI=1S/C6H3BrO4/c7-3-1-4(11-2-3)5(8)6(9)10/h1-2H,(H,9,10)
InChIKey
FKPSBCSDZILYEQ-UHFFFAOYSA-N
Compound name
2-(4-bromofuran-2-yl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.92146 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.92874 136.2
[M+Na]+ 240.91068 148.2
[M-H]- 216.91418 142.3
[M+NH4]+ 235.95528 157.8
[M+K]+ 256.88462 139.6
[M+H-H2O]+ 200.91872 137.0
[M+HCOO]- 262.91966 156.7
[M+CH3COO]- 276.93531 179.8
[M+Na-2H]- 238.89613 142.0
[M]+ 217.92091 156.2
[M]- 217.92201 156.2
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.