CID 130114913

2-bromo-4h,5h,6h,7h-[1,3]oxazolo[4,5-c]pyridin-4-one

Structural Information

Molecular Formula
C6H5BrN2O2
SMILES
C1CNC(=O)C2=C1OC(=N2)Br
InChI
InChI=1S/C6H5BrN2O2/c7-6-9-4-3(11-6)1-2-8-5(4)10/h1-2H2,(H,8,10)
InChIKey
GIPCYMCLBUKNJF-UHFFFAOYSA-N
Compound name
2-bromo-6,7-dihydro-5H-[1,3]oxazolo[4,5-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.95345 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.96073 135.9
[M+Na]+ 238.94267 148.7
[M-H]- 214.94617 140.1
[M+NH4]+ 233.98727 156.6
[M+K]+ 254.91661 139.0
[M+H-H2O]+ 198.95071 136.2
[M+HCOO]- 260.95165 152.8
[M+CH3COO]- 274.96730 151.0
[M+Na-2H]- 236.92812 144.0
[M]+ 215.95290 153.0
[M]- 215.95400 153.0
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.