CID 17535117

2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoic acid

Structural Information

Molecular Formula
C16H10FNO3
SMILES
C1=CC=C(C(=C1)C2=NC=C(O2)C3=CC=CC=C3F)C(=O)O
InChI
InChI=1S/C16H10FNO3/c17-13-8-4-3-7-12(13)14-9-18-15(21-14)10-5-1-2-6-11(10)16(19)20/h1-9H,(H,19,20)
InChIKey
LGKCFCXPJGIKKH-UHFFFAOYSA-N
Compound name
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.06448 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.071756 160.7
[M+Na]+ 306.053698 170.0
[M-H]- 282.057204 168.2
[M+NH4]+ 301.098303 174.6
[M+K]+ 322.027638 166.3
[M+H-H2O]+ 266.061740 151.7
[M+HCOO]- 328.062681 181.6
[M+CH3COO]- 342.078331 173.0
[M+Na-2H]- 304.039146 163.7
[M]+ 283.06393142 161.1
[M]- 283.06502858 161.1
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

No patent data available for this compound.