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]+ 231.99677 143.7
[M+Na]+ 253.97871 154.0
[M-H]- 229.98221 152.4
[M+NH4]+ 249.02331 163.0
[M+K]+ 269.95265 146.6
[M+H-H2O]+ 213.98675 143.7
[M+HCOO]- 275.98769 161.6
[M+CH3COO]- 290.00334 158.7
[M+Na-2H]- 251.96416 150.9
[M]+ 230.98894 161.0
[M]- 230.99004 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.