CID 11160099

72167-53-4

Structural Information

Molecular Formula
C6H9BrO3
SMILES
COC1C=C(C(O1)OC)Br
InChI
InChI=1S/C6H9BrO3/c1-8-5-3-4(7)6(9-2)10-5/h3,5-6H,1-2H3
InChIKey
RUBCKABMZZZEAK-UHFFFAOYSA-N
Compound name
3-bromo-2,5-dimethoxy-2,5-dihydrofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.97351 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.98079 135.8
[M+Na]+ 230.96273 148.3
[M-H]- 206.96623 143.1
[M+NH4]+ 226.00733 159.1
[M+K]+ 246.93667 140.6
[M+H-H2O]+ 190.97077 136.7
[M+HCOO]- 252.97171 157.7
[M+CH3COO]- 266.98736 181.6
[M+Na-2H]- 228.94818 142.8
[M]+ 207.97296 157.7
[M]- 207.97406 157.7
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.