CID 1096392

5-(4-fluorophenyl)-1,2-oxazole-3-carboxylic acid

Structural Information

Molecular Formula
C10H6FNO3
SMILES
C1=CC(=CC=C1C2=CC(=NO2)C(=O)O)F
InChI
InChI=1S/C10H6FNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)
InChIKey
OFWUBERMKPVMCT-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

78
Patents

207.03317 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.040446 138.6
[M+Na]+ 230.022388 148.3
[M-H]- 206.025894 143.0
[M+NH4]+ 225.066993 156.0
[M+K]+ 245.996328 146.6
[M+H-H2O]+ 190.030430 131.2
[M+HCOO]- 252.031371 160.3
[M+CH3COO]- 266.047021 181.1
[M+Na-2H]- 228.007836 143.5
[M]+ 207.03262142 139.1
[M]- 207.03371858 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

literature stripe

Patent stripe

patents stripe