CID 53408141

2375270-70-3

Structural Information

Molecular Formula
C8H4FNO3
SMILES
C1=CC2=C(C=C1F)N=C(O2)C(=O)O
InChI
InChI=1S/C8H4FNO3/c9-4-1-2-6-5(3-4)10-7(13-6)8(11)12/h1-3H,(H,11,12)
InChIKey
IVWRUQHCOXUMAX-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-benzoxazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

181.01752 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.02480 132.6
[M+Na]+ 204.00674 145.2
[M+NH4]+ 199.05134 139.7
[M+K]+ 219.98068 142.5
[M-H]- 180.01024 132.9
[M+Na-2H]- 201.99219 137.3
[M]+ 181.01697 134.2
[M]- 181.01807 134.2
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