CID 11208732

775304-60-4

Structural Information

Molecular Formula
C16H11FN2O3
SMILES
COC(=O)C1=CC=CC(=C1)C2=NOC(=N2)C3=CC=CC=C3F
InChI
InChI=1S/C16H11FN2O3/c1-21-16(20)11-6-4-5-10(9-11)14-18-15(22-19-14)12-7-2-3-8-13(12)17/h2-9H,1H3
InChIKey
LFJJTHGQRVVGGN-UHFFFAOYSA-N
Compound name
methyl 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

137
Patents

298.07538 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08266 165.1
[M+Na]+ 321.06460 174.9
[M-H]- 297.06810 172.5
[M+NH4]+ 316.10920 177.7
[M+K]+ 337.03854 171.8
[M+H-H2O]+ 281.07264 154.8
[M+HCOO]- 343.07358 186.1
[M+CH3COO]- 357.08923 177.3
[M+Na-2H]- 319.05005 168.4
[M]+ 298.07483 167.6
[M]- 298.07593 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe