CID 135418332

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

Structural Information

Molecular Formula
C13H8ClN3O2
SMILES
C1=CC=NC(=C1)C2=NOC(=N2)C3=C(C=CC(=C3)Cl)O
InChI
InChI=1S/C13H8ClN3O2/c14-8-4-5-11(18)9(7-8)13-16-12(17-19-13)10-3-1-2-6-15-10/h1-7,18H
InChIKey
HCFSVVMXJRUPET-UHFFFAOYSA-N
Compound name
4-chloro-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

273.03052 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.03780 157.6
[M+Na]+ 296.01974 168.9
[M-H]- 272.02324 163.5
[M+NH4]+ 291.06434 170.2
[M+K]+ 311.99368 163.8
[M+H-H2O]+ 256.02778 148.2
[M+HCOO]- 318.02872 173.5
[M+CH3COO]- 332.04437 169.9
[M+Na-2H]- 294.00519 163.0
[M]+ 273.02997 160.7
[M]- 273.03107 160.7
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