CID 25082947

93840-49-4

Structural Information

Molecular Formula
C6H9BrO3
SMILES
C1C(C2C(O1)C(CO2)Br)O
InChI
InChI=1S/C6H9BrO3/c7-3-1-9-6-4(8)2-10-5(3)6/h3-6,8H,1-2H2
InChIKey
CYDSHUXBYGPGJA-UHFFFAOYSA-N
Compound name
6-bromo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.97351 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.980786 141.7
[M+Na]+ 230.962728 153.1
[M-H]- 206.966234 148.7
[M+NH4]+ 226.007333 165.5
[M+K]+ 246.936668 145.7
[M+H-H2O]+ 190.970770 144.2
[M+HCOO]- 252.971711 159.1
[M+CH3COO]- 266.987361 178.1
[M+Na-2H]- 228.948176 147.4
[M]+ 207.97296142 159.3
[M]- 207.97405858 159.3
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.