CID 84697178

6-bromo-2-chloro-[1,3]oxazolo[4,5-b]pyridine

Structural Information

Molecular Formula
C6H2BrClN2O
SMILES
C1=C(C=NC2=C1OC(=N2)Cl)Br
InChI
InChI=1S/C6H2BrClN2O/c7-3-1-4-5(9-2-3)10-6(8)11-4/h1-2H
InChIKey
CEGCWRUMZAVLHG-UHFFFAOYSA-N
Compound name
6-bromo-2-chloro-[1,3]oxazolo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.9039 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.91118 133.2
[M+Na]+ 254.89312 150.2
[M-H]- 230.89662 139.6
[M+NH4]+ 249.93772 155.3
[M+K]+ 270.86706 139.2
[M+H-H2O]+ 214.90116 133.9
[M+HCOO]- 276.90210 150.7
[M+CH3COO]- 290.91775 150.4
[M+Na-2H]- 252.87857 144.2
[M]+ 231.90335 157.1
[M]- 231.90445 157.1
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.