CID 15957010

2-[5-(2-chloro-5-nitro-phenyl)-[1,2,4]oxadiazol-3-yl]-5-trifluoromethyl-pyridine

Structural Information

Molecular Formula
C14H6ClF3N4O3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C2=NC(=NO2)C3=NC=C(C=C3)C(F)(F)F)Cl
InChI
InChI=1S/C14H6ClF3N4O3/c15-10-3-2-8(22(23)24)5-9(10)13-20-12(21-25-13)11-4-1-7(6-19-11)14(16,17)18/h1-6H
InChIKey
SGTZYYZUCVRPFJ-UHFFFAOYSA-N
Compound name
5-(2-chloro-5-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

370.00806 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.01534 175.8
[M+Na]+ 392.99728 185.9
[M-H]- 369.00078 179.5
[M+NH4]+ 388.04188 184.1
[M+K]+ 408.97122 176.6
[M+H-H2O]+ 353.00532 168.1
[M+HCOO]- 415.00626 188.8
[M+CH3COO]- 429.02191 205.7
[M+Na-2H]- 390.98273 182.1
[M]+ 370.00751 174.9
[M]- 370.00861 174.9
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