CID 135429387

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

Structural Information

Molecular Formula
C14H7ClF3N3O2
SMILES
C1=CC(=C(C=C1Cl)C2=NC(=NO2)C3=NC=C(C=C3)C(F)(F)F)O
InChI
InChI=1S/C14H7ClF3N3O2/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
LPOPPCGHICYDBW-UHFFFAOYSA-N
Compound name
4-chloro-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

341.01788 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.02516 170.8
[M+Na]+ 364.00710 183.1
[M-H]- 340.01060 173.3
[M+NH4]+ 359.05170 181.0
[M+K]+ 379.98104 176.9
[M+H-H2O]+ 324.01514 159.1
[M+HCOO]- 386.01608 181.6
[M+CH3COO]- 400.03173 181.4
[M+Na-2H]- 361.99255 174.1
[M]+ 341.01733 171.2
[M]- 341.01843 171.2
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