CID 22831710

5-(2-fluorophenyl)-1,2-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H6FNO3
SMILES
C1=CC=C(C(=C1)C2=C(C=NO2)C(=O)O)F
InChI
InChI=1S/C10H6FNO3/c11-8-4-2-1-3-6(8)9-7(10(13)14)5-12-15-9/h1-5H,(H,13,14)
InChIKey
ZYGWUDJUJQNWHC-UHFFFAOYSA-N
Compound name
5-(2-fluorophenyl)-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

207.03317 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04045 142.4
[M+Na]+ 230.02239 154.7
[M+NH4]+ 225.06699 149.1
[M+K]+ 245.99633 151.8
[M-H]- 206.02589 144.1
[M+Na-2H]- 228.00784 148.4
[M]+ 207.03262 144.4
[M]- 207.03372 144.4
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