CID 3061211

Brn 4504815

Structural Information

Molecular Formula
C17H12FNO3
SMILES
C1=CC(=CC=C1CC(=O)O)C2=NOC(=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H12FNO3/c18-14-7-5-13(6-8-14)16-10-15(19-22-16)12-3-1-11(2-4-12)9-17(20)21/h1-8,10H,9H2,(H,20,21)
InChIKey
MQMROFUBYIEUSI-UHFFFAOYSA-N
Compound name
2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0801 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08738 165.4
[M+Na]+ 320.06932 174.2
[M-H]- 296.07282 172.7
[M+NH4]+ 315.11392 178.7
[M+K]+ 336.04326 170.3
[M+H-H2O]+ 280.07736 156.2
[M+HCOO]- 342.07830 185.9
[M+CH3COO]- 356.09395 177.3
[M+Na-2H]- 318.05477 167.9
[M]+ 297.07955 166.1
[M]- 297.08065 166.1
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.