CID 8895240

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

Structural Information

Molecular Formula
C13H7ClN4O3
SMILES
C1=CC=NC(=C1)C2=NOC(=N2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H7ClN4O3/c14-10-7-8(18(19)20)4-5-9(10)13-16-12(17-21-13)11-3-1-2-6-15-11/h1-7H
InChIKey
YVKRTPUXEPUFFJ-UHFFFAOYSA-N
Compound name
5-(2-chloro-4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

302.02066 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.02794 164.6
[M+Na]+ 325.00988 173.6
[M-H]- 301.01338 171.6
[M+NH4]+ 320.05448 175.2
[M+K]+ 340.98382 165.4
[M+H-H2O]+ 285.01792 158.9
[M+HCOO]- 347.01886 182.5
[M+CH3COO]- 361.03451 194.0
[M+Na-2H]- 322.99533 172.1
[M]+ 302.02011 166.4
[M]- 302.02121 166.4
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.