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]+ 312.10304 170.1
[M+Na]+ 334.08498 178.1
[M-H]- 310.08848 177.3
[M+NH4]+ 329.12958 182.7
[M+K]+ 350.05892 174.5
[M+H-H2O]+ 294.09302 160.8
[M+HCOO]- 356.09396 189.2
[M+CH3COO]- 370.10961 203.3
[M+Na-2H]- 332.07043 170.9
[M]+ 311.09521 170.5
[M]- 311.09631 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.