CID 12209187

3,4-dibromofuran-2-carboxylic acid

Structural Information

Molecular Formula
C5H2Br2O3
SMILES
C1=C(C(=C(O1)C(=O)O)Br)Br
InChI
InChI=1S/C5H2Br2O3/c6-2-1-10-4(3(2)7)5(8)9/h1H,(H,8,9)
InChIKey
ISBXWVSYAWHMSU-UHFFFAOYSA-N
Compound name
3,4-dibromofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

267.83707 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.84435 136.4
[M+Na]+ 290.82629 148.5
[M-H]- 266.82979 143.2
[M+NH4]+ 285.87089 156.4
[M+K]+ 306.80023 134.7
[M+H-H2O]+ 250.83433 144.7
[M+HCOO]- 312.83527 152.4
[M+CH3COO]- 326.85092 195.2
[M+Na-2H]- 288.81174 142.7
[M]+ 267.83652 171.2
[M]- 267.83762 171.2
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

patents stripe