CID 6499989

65422-72-2

Structural Information

Molecular Formula
C8H5NO4
SMILES
C1=CC2=C(C=C1C(=O)O)NC(=O)O2
InChI
InChI=1S/C8H5NO4/c10-7(11)4-1-2-6-5(3-4)9-8(12)13-6/h1-3H,(H,9,12)(H,10,11)
InChIKey
KHVGBYCMDLCIAF-UHFFFAOYSA-N
Compound name
2-oxo-3H-1,3-benzoxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

179.02185 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.02913 131.6
[M+Na]+ 202.01107 144.2
[M+NH4]+ 197.05567 138.4
[M+K]+ 217.98501 142.3
[M-H]- 178.01457 132.2
[M+Na-2H]- 199.99652 136.0
[M]+ 179.02130 133.3
[M]- 179.02240 133.3
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

patents stripe