CID 84070920

7-chloro-[1,3]oxazolo[4,5-b]pyridin-2-ol

Structural Information

Molecular Formula
C6H3ClN2O2
SMILES
C1=CN=C2C(=C1Cl)OC(=O)N2
InChI
InChI=1S/C6H3ClN2O2/c7-3-1-2-8-5-4(3)11-6(10)9-5/h1-2H,(H,8,9,10)
InChIKey
IVNBOMVQNMBLGX-UHFFFAOYSA-N
Compound name
7-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.98831 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.99559 126.2
[M+Na]+ 192.97753 141.8
[M+NH4]+ 188.02213 134.7
[M+K]+ 208.95147 137.6
[M-H]- 168.98103 128.1
[M+Na-2H]- 190.96298 132.9
[M]+ 169.98776 129.3
[M]- 169.98886 129.3
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.