CID 13333560

58832-36-3

Structural Information

Molecular Formula
C5H3BrO3
SMILES
C1=C(OC=C1C(=O)O)Br
InChI
InChI=1S/C5H3BrO3/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8)
InChIKey
XYBPFWUNJQTZCM-UHFFFAOYSA-N
Compound name
5-bromofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

189.92656 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.93384 130.0
[M+Na]+ 212.91578 142.6
[M-H]- 188.91928 136.2
[M+NH4]+ 207.96038 152.9
[M+K]+ 228.88972 133.9
[M+H-H2O]+ 172.92382 131.1
[M+HCOO]- 234.92476 151.4
[M+CH3COO]- 248.94041 174.9
[M+Na-2H]- 210.90123 137.4
[M]+ 189.92601 149.6
[M]- 189.92711 149.6
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