CID 15956947

Schembl7050312

Structural Information

Molecular Formula
C13H7FN4O3
SMILES
C1=CC=NC(=C1)C2=NOC(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])F
InChI
InChI=1S/C13H7FN4O3/c14-10-5-4-8(18(19)20)7-9(10)13-16-12(17-21-13)11-3-1-2-6-15-11/h1-7H
InChIKey
XDSAHEPGRGAWGU-UHFFFAOYSA-N
Compound name
5-(2-fluoro-5-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

286.05023 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05751 158.9
[M+Na]+ 309.03945 167.8
[M-H]- 285.04295 165.2
[M+NH4]+ 304.08405 169.5
[M+K]+ 325.01339 160.3
[M+H-H2O]+ 269.04749 152.2
[M+HCOO]- 331.04843 180.7
[M+CH3COO]- 345.06408 193.0
[M+Na-2H]- 307.02490 166.9
[M]+ 286.04968 157.8
[M]- 286.05078 157.8
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