CID 488286

2-[4-(4,5-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol

Structural Information

Molecular Formula
C17H13F5N2O2
SMILES
C1=CC(=CC=C1C2N=CNO2)C(C(C3=CC=C(C=C3)C(F)(F)F)O)(F)F
InChI
InChI=1S/C17H13F5N2O2/c18-16(19,12-5-3-11(4-6-12)15-23-9-24-26-15)14(25)10-1-7-13(8-2-10)17(20,21)22/h1-9,14-15,25H,(H,23,24)
InChIKey
XMLYPNOQOGNIIV-UHFFFAOYSA-N
Compound name
2-[4-(2,5-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.08972 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09700 179.3
[M+Na]+ 395.07894 186.6
[M-H]- 371.08244 178.3
[M+NH4]+ 390.12354 187.2
[M+K]+ 411.05288 181.0
[M+H-H2O]+ 355.08698 166.8
[M+HCOO]- 417.08792 187.6
[M+CH3COO]- 431.10357 208.7
[M+Na-2H]- 393.06439 180.7
[M]+ 372.08917 170.6
[M]- 372.09027 170.6
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

No patent data available for this compound.