CID 42281996

3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline

Structural Information

Molecular Formula
C14H10FN3O
SMILES
C1=CC(=CC(=C1)N)C2=NOC(=N2)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H10FN3O/c15-11-6-4-9(5-7-11)14-17-13(18-19-14)10-2-1-3-12(16)8-10/h1-8H,16H2
InChIKey
LKRKUIXRGFLWSX-UHFFFAOYSA-N
Compound name
3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.0808 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.08808 154.8
[M+Na]+ 278.07002 164.9
[M-H]- 254.07352 161.8
[M+NH4]+ 273.11462 168.9
[M+K]+ 294.04396 160.5
[M+H-H2O]+ 238.07806 144.7
[M+HCOO]- 300.07900 177.3
[M+CH3COO]- 314.09465 167.4
[M+Na-2H]- 276.05547 159.8
[M]+ 255.08025 153.7
[M]- 255.08135 153.7
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.