CID 135429343

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

Structural Information

Molecular Formula
C13H8N4O4
SMILES
C1=CC=NC(=C1)C2=NOC(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])O
InChI
InChI=1S/C13H8N4O4/c18-11-5-4-8(17(19)20)7-9(11)13-15-12(16-21-13)10-3-1-2-6-14-10/h1-7,18H
InChIKey
ZTFGFBXMWLAKLQ-UHFFFAOYSA-N
Compound name
4-nitro-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

284.05457 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06185 159.0
[M+Na]+ 307.04379 167.2
[M-H]- 283.04729 165.5
[M+NH4]+ 302.08839 169.0
[M+K]+ 323.01773 159.9
[M+H-H2O]+ 267.05183 153.4
[M+HCOO]- 329.05277 180.6
[M+CH3COO]- 343.06842 189.9
[M+Na-2H]- 305.02924 167.4
[M]+ 284.05402 158.4
[M]- 284.05512 158.4
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

patents stripe