CID 135429393

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

Structural Information

Molecular Formula
C15H10F3N3O2
SMILES
CC1=CC(=C(C=C1)O)C2=NC(=NO2)C3=NC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C15H10F3N3O2/c1-8-2-5-12(22)10(6-8)14-20-13(21-23-14)11-4-3-9(7-19-11)15(16,17)18/h2-7,22H,1H3
InChIKey
MJLRWSLDCQQIGF-UHFFFAOYSA-N
Compound name
4-methyl-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

321.0725 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07978 170.1
[M+Na]+ 344.06172 181.5
[M-H]- 320.06522 172.9
[M+NH4]+ 339.10632 180.3
[M+K]+ 360.03566 176.4
[M+H-H2O]+ 304.06976 158.3
[M+HCOO]- 366.07070 185.3
[M+CH3COO]- 380.08635 180.8
[M+Na-2H]- 342.04717 173.3
[M]+ 321.07195 168.7
[M]- 321.07305 168.7
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