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]+ 284.07176 160.7
[M+Na]+ 306.05370 170.0
[M-H]- 282.05720 168.2
[M+NH4]+ 301.09830 174.6
[M+K]+ 322.02764 166.3
[M+H-H2O]+ 266.06174 151.7
[M+HCOO]- 328.06268 181.6
[M+CH3COO]- 342.07833 173.0
[M+Na-2H]- 304.03915 163.7
[M]+ 283.06393 161.1
[M]- 283.06503 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.