CID 4194832

4,5-dibromofuran-2-carboxylic acid

Structural Information

Molecular Formula
C5H2Br2O3
SMILES
C1=C(OC(=C1Br)Br)C(=O)O
InChI
InChI=1S/C5H2Br2O3/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)
InChIKey
BHUVICYZDBUMIU-UHFFFAOYSA-N
Compound name
4,5-dibromofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

320
Patents

267.83707 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe