CID 135429391

2-[3-[5-(trifluoromethyl)-2-pyridyl]-1,2,4-oxadiazol-5-yl]phenol

Structural Information

Molecular Formula
C14H8F3N3O2
SMILES
C1=CC=C(C(=C1)C2=NC(=NO2)C3=NC=C(C=C3)C(F)(F)F)O
InChI
InChI=1S/C14H8F3N3O2/c15-14(16,17)8-5-6-10(18-7-8)12-19-13(22-20-12)9-3-1-2-4-11(9)21/h1-7,21H
InChIKey
SZYZKLAWXUNIJE-UHFFFAOYSA-N
Compound name
2-[3-[5-(trifluoromethyl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

307.05685 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06413 164.8
[M+Na]+ 330.04607 175.6
[M-H]- 306.04957 167.3
[M+NH4]+ 325.09067 175.2
[M+K]+ 346.02001 170.8
[M+H-H2O]+ 290.05411 152.9
[M+HCOO]- 352.05505 180.3
[M+CH3COO]- 366.07070 175.5
[M+Na-2H]- 328.03152 169.3
[M]+ 307.05630 162.6
[M]- 307.05740 162.6
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