CID 22714196

347187-18-2

Structural Information

Molecular Formula
C10H6FNO3
SMILES
C1=CC=C(C(=C1)C2=C(N=CO2)C(=O)O)F
InChI
InChI=1S/C10H6FNO3/c11-7-4-2-1-3-6(7)9-8(10(13)14)12-5-15-9/h1-5H,(H,13,14)
InChIKey
COYYCXFHTJQGGF-UHFFFAOYSA-N
Compound name
5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

207.03317 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04045 138.6
[M+Na]+ 230.02239 148.3
[M-H]- 206.02589 143.0
[M+NH4]+ 225.06699 156.0
[M+K]+ 245.99633 146.6
[M+H-H2O]+ 190.03043 131.2
[M+HCOO]- 252.03137 160.3
[M+CH3COO]- 266.04702 181.1
[M+Na-2H]- 228.00784 143.5
[M]+ 207.03262 139.1
[M]- 207.03372 139.1
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

patents stripe