CID 15957001

5-(3-nitrophenyl)-3-[5-(trifluoromethyl)-2-pyridyl]-1,2,4-oxadiazole

Structural Information

Molecular Formula
C14H7F3N4O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NO2)C3=NC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C14H7F3N4O3/c15-14(16,17)9-4-5-11(18-7-9)12-19-13(24-20-12)8-2-1-3-10(6-8)21(22)23/h1-7H
InChIKey
WUKQCBXAKDURGO-UHFFFAOYSA-N
Compound name
5-(3-nitrophenyl)-3-[5-(trifluoromethyl)pyridin-2-yl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

336.04703 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.05431 168.4
[M+Na]+ 359.03625 177.4
[M-H]- 335.03975 172.3
[M+NH4]+ 354.08085 177.1
[M+K]+ 375.01019 169.2
[M+H-H2O]+ 319.04429 160.3
[M+HCOO]- 381.04523 186.2
[M+CH3COO]- 395.06088 201.0
[M+Na-2H]- 357.02170 176.1
[M]+ 336.04648 164.9
[M]- 336.04758 164.9
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

patents stripe