CID 135429451

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

Structural Information

Molecular Formula
C15H7F6N3O3
SMILES
C1=CC(=C(C=C1OC(F)(F)F)C2=NC(=NO2)C3=NC=C(C=C3)C(F)(F)F)O
InChI
InChI=1S/C15H7F6N3O3/c16-14(17,18)7-1-3-10(22-6-7)12-23-13(27-24-12)9-5-8(2-4-11(9)25)26-15(19,20)21/h1-6,25H
InChIKey
MSMGGUUSQBEWFU-UHFFFAOYSA-N
Compound name
4-(trifluoromethoxy)-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

391.03915 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.04643 181.8
[M+Na]+ 414.02837 193.3
[M-H]- 390.03187 180.9
[M+NH4]+ 409.07297 188.8
[M+K]+ 430.00231 188.2
[M+H-H2O]+ 374.03641 167.6
[M+HCOO]- 436.03735 192.2
[M+CH3COO]- 450.05300 213.5
[M+Na-2H]- 412.01382 184.5
[M]+ 391.03860 177.5
[M]- 391.03970 177.5
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