CID 16779155

3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

Structural Information

Molecular Formula
C12H11FN2O3
SMILES
CC1=C(C=CC(=C1)C2=NOC(=N2)CCC(=O)O)F
InChI
InChI=1S/C12H11FN2O3/c1-7-6-8(2-3-9(7)13)12-14-10(18-15-12)4-5-11(16)17/h2-3,6H,4-5H2,1H3,(H,16,17)
InChIKey
GHAQDGXDFQLUJU-UHFFFAOYSA-N
Compound name
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.07536 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08264 155.8
[M+Na]+ 273.06458 167.7
[M+NH4]+ 268.10918 161.2
[M+K]+ 289.03852 164.8
[M-H]- 249.06808 156.6
[M+Na-2H]- 271.05003 160.5
[M]+ 250.07481 157.4
[M]- 250.07591 157.4
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.