CID 15956965

Schembl6459519

Structural Information

Molecular Formula
C13H6FN5O5
SMILES
C1=CC(=C(N=C1)C2=NOC(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])F)[N+](=O)[O-]
InChI
InChI=1S/C13H6FN5O5/c14-9-4-3-7(18(20)21)6-8(9)13-16-12(17-24-13)11-10(19(22)23)2-1-5-15-11/h1-6H
InChIKey
XVUKHEDQBTUXIY-UHFFFAOYSA-N
Compound name
5-(2-fluoro-5-nitrophenyl)-3-(3-nitropyridin-2-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

331.0353 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.04258 169.5
[M+Na]+ 354.02452 176.3
[M-H]- 330.02802 176.1
[M+NH4]+ 349.06912 176.9
[M+K]+ 369.99846 165.2
[M+H-H2O]+ 314.03256 166.8
[M+HCOO]- 376.03350 191.3
[M+CH3COO]- 390.04915 196.8
[M+Na-2H]- 352.00997 179.2
[M]+ 331.03475 166.6
[M]- 331.03585 166.6
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