CID 135429353

4-fluoro-2-[3-(3-nitro-pyridin-2-yl)-[1,2,4]oxadiazol-5-yl]-phenol

Structural Information

Molecular Formula
C13H7FN4O4
SMILES
C1=CC(=C(N=C1)C2=NOC(=N2)C3=C(C=CC(=C3)F)O)[N+](=O)[O-]
InChI
InChI=1S/C13H7FN4O4/c14-7-3-4-10(19)8(6-7)13-16-12(17-22-13)11-9(18(20)21)2-1-5-15-11/h1-6,19H
InChIKey
JSWVAMRLNCCGKA-UHFFFAOYSA-N
Compound name
4-fluoro-2-[3-(3-nitropyridin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

302.04514 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05242 161.9
[M+Na]+ 325.03436 171.0
[M-H]- 301.03786 167.4
[M+NH4]+ 320.07896 171.4
[M+K]+ 341.00830 163.2
[M+H-H2O]+ 285.04240 155.6
[M+HCOO]- 347.04334 182.5
[M+CH3COO]- 361.05899 193.7
[M+Na-2H]- 323.01981 169.1
[M]+ 302.04459 160.8
[M]- 302.04569 160.8
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