CID 3061223

Brn 4538599

Structural Information

Molecular Formula
C19H16FNO3
SMILES
CC(C1=CC=C(C=C1)C2=NOC(=C2)C3=CC=C(C=C3)F)C(=O)OC
InChI
InChI=1S/C19H16FNO3/c1-12(19(22)23-2)13-3-5-14(6-4-13)17-11-18(24-21-17)15-7-9-16(20)10-8-15/h3-12H,1-2H3
InChIKey
AHSUOGMFXVPPPG-UHFFFAOYSA-N
Compound name
methyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.11142 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.118696 174.8
[M+Na]+ 348.100638 183.0
[M-H]- 324.104144 183.3
[M+NH4]+ 343.145243 187.7
[M+K]+ 364.074578 180.0
[M+H-H2O]+ 308.108680 165.1
[M+HCOO]- 370.109621 195.2
[M+CH3COO]- 384.125271 207.9
[M+Na-2H]- 346.086086 175.5
[M]+ 325.11087142 177.3
[M]- 325.11196858 177.3
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.