CID 135429392

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

Structural Information

Molecular Formula
C15H10F3N3O3
SMILES
COC1=CC(=C(C=C1)O)C2=NC(=NO2)C3=NC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C15H10F3N3O3/c1-23-9-3-5-12(22)10(6-9)14-20-13(21-24-14)11-4-2-8(7-19-11)15(16,17)18/h2-7,22H,1H3
InChIKey
AKCJEQLLFVNVMW-UHFFFAOYSA-N
Compound name
4-methoxy-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

1
Patents

337.0674 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.07468 172.9
[M+Na]+ 360.05662 184.0
[M-H]- 336.06012 175.6
[M+NH4]+ 355.10122 182.2
[M+K]+ 376.03056 179.6
[M+H-H2O]+ 320.06466 160.9
[M+HCOO]- 382.06560 188.2
[M+CH3COO]- 396.08125 205.3
[M+Na-2H]- 358.04207 176.2
[M]+ 337.06685 172.8
[M]- 337.06795 172.8
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