CID 135429388

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

Structural Information

Molecular Formula
C14H7F4N3O2
SMILES
C1=CC(=C(C=C1F)C2=NC(=NO2)C3=NC=C(C=C3)C(F)(F)F)O
InChI
InChI=1S/C14H7F4N3O2/c15-8-2-4-11(22)9(5-8)13-20-12(21-23-13)10-3-1-7(6-19-10)14(16,17)18/h1-6,22H
InChIKey
CHEPBWPOJRHXSO-UHFFFAOYSA-N
Compound name
4-fluoro-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

325.04742 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.05470 168.2
[M+Na]+ 348.03664 180.0
[M-H]- 324.04014 169.7
[M+NH4]+ 343.08124 178.1
[M+K]+ 364.01058 174.7
[M+H-H2O]+ 308.04468 155.6
[M+HCOO]- 370.04562 182.7
[M+CH3COO]- 384.06127 178.7
[M+Na-2H]- 346.02209 171.4
[M]+ 325.04687 165.3
[M]- 325.04797 165.3
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