CID 115038638

2-bromo-5-(oxan-4-yl)-1,3-oxazole

Structural Information

Molecular Formula
C8H10BrNO2
SMILES
C1COCCC1C2=CN=C(O2)Br
InChI
InChI=1S/C8H10BrNO2/c9-8-10-5-7(12-8)6-1-3-11-4-2-6/h5-6H,1-4H2
InChIKey
XFSYVWDWVDVBLL-UHFFFAOYSA-N
Compound name
2-bromo-5-(oxan-4-yl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.98949 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.996766 143.7
[M+Na]+ 253.978708 154.0
[M-H]- 229.982214 152.4
[M+NH4]+ 249.023313 163.0
[M+K]+ 269.952648 146.6
[M+H-H2O]+ 213.986750 143.7
[M+HCOO]- 275.987691 161.6
[M+CH3COO]- 290.003341 158.7
[M+Na-2H]- 251.964156 150.9
[M]+ 230.98894142 161.0
[M]- 230.99003858 161.0
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.