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]+ 326.11870 174.8
[M+Na]+ 348.10064 183.0
[M-H]- 324.10414 183.3
[M+NH4]+ 343.14524 187.7
[M+K]+ 364.07458 180.0
[M+H-H2O]+ 308.10868 165.1
[M+HCOO]- 370.10962 195.2
[M+CH3COO]- 384.12527 207.9
[M+Na-2H]- 346.08609 175.5
[M]+ 325.11087 177.3
[M]- 325.11197 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.