CID 3061215

Brn 4524288

Structural Information

Molecular Formula
C18H14FNO3
SMILES
CC(C1=CC=C(C=C1)C2=NOC(=C2)C3=CC=C(C=C3)F)C(=O)O
InChI
InChI=1S/C18H14FNO3/c1-11(18(21)22)12-2-4-13(5-3-12)16-10-17(23-20-16)14-6-8-15(19)9-7-14/h2-11H,1H3,(H,21,22)
InChIKey
CMKDVVFXIYCTHV-UHFFFAOYSA-N
Compound name
2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.09576 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.103036 170.1
[M+Na]+ 334.084978 178.1
[M-H]- 310.088484 177.3
[M+NH4]+ 329.129583 182.7
[M+K]+ 350.058918 174.5
[M+H-H2O]+ 294.093020 160.8
[M+HCOO]- 356.093961 189.2
[M+CH3COO]- 370.109611 203.3
[M+Na-2H]- 332.070426 170.9
[M]+ 311.09521142 170.5
[M]- 311.09630858 170.5
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.