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]+ 216.960726 135.9
[M+Na]+ 238.942668 148.7
[M-H]- 214.946174 140.1
[M+NH4]+ 233.987273 156.6
[M+K]+ 254.916608 139.0
[M+H-H2O]+ 198.950710 136.2
[M+HCOO]- 260.951651 152.8
[M+CH3COO]- 274.967301 151.0
[M+Na-2H]- 236.928116 144.0
[M]+ 215.95290142 153.0
[M]- 215.95399858 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.