CID 155821299

3-bromo-3ah,4h,6h,6ah-furo[3,4-d][1,2]oxazole

Structural Information

Molecular Formula
C5H6BrNO2
SMILES
C1C2C(CO1)ON=C2Br
InChI
InChI=1S/C5H6BrNO2/c6-5-3-1-8-2-4(3)9-7-5/h3-4H,1-2H2
InChIKey
DXNUXSIPLOXHTP-UHFFFAOYSA-N
Compound name
3-bromo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.95819 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.96547 137.9
[M+Na]+ 213.94741 139.4
[M+NH4]+ 208.99201 143.1
[M+K]+ 229.92135 143.7
[M-H]- 189.95091 139.3
[M+Na-2H]- 211.93286 137.5
[M]+ 190.95764 137.2
[M]- 190.95874 137.2
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

No patent data available for this compound.