CID 135429386

2-[3-(5-trifluoromethyl-pyridin-2-yl)-[1,2,4]oxadiazol-5-yl]-benzene-1,4-diol

Structural Information

Molecular Formula
C14H8F3N3O3
SMILES
C1=CC(=C(C=C1O)C2=NC(=NO2)C3=NC=C(C=C3)C(F)(F)F)O
InChI
InChI=1S/C14H8F3N3O3/c15-14(16,17)7-1-3-10(18-6-7)12-19-13(23-20-12)9-5-8(21)2-4-11(9)22/h1-6,21-22H
InChIKey
QLKQVFAISWQIHT-UHFFFAOYSA-N
Compound name
2-[3-[5-(trifluoromethyl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

323.0518 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.05908 168.5
[M+Na]+ 346.04102 179.5
[M-H]- 322.04452 170.1
[M+NH4]+ 341.08562 177.7
[M+K]+ 362.01496 174.5
[M+H-H2O]+ 306.04906 157.0
[M+HCOO]- 368.05000 182.7
[M+CH3COO]- 382.06565 200.1
[M+Na-2H]- 344.02647 172.0
[M]+ 323.05125 166.3
[M]- 323.05235 166.3
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