CID 5278385

3-phenyl-5-[1,1,2-trifluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole

Structural Information

Molecular Formula
C17H10F6N2O
SMILES
C1=CC=C(C=C1)C2=NOC(=N2)C(C(C3=CC=C(C=C3)C(F)(F)F)F)(F)F
InChI
InChI=1S/C17H10F6N2O/c18-13(10-6-8-12(9-7-10)17(21,22)23)16(19,20)15-24-14(25-26-15)11-4-2-1-3-5-11/h1-9,13H
InChIKey
HNHRPOIMMRCUAC-UHFFFAOYSA-N
Compound name
3-phenyl-5-[1,1,2-trifluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.06973 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.07701 178.6
[M+Na]+ 395.05895 188.0
[M-H]- 371.06245 179.3
[M+NH4]+ 390.10355 187.9
[M+K]+ 411.03289 182.7
[M+H-H2O]+ 355.06699 164.5
[M+HCOO]- 417.06793 189.9
[M+CH3COO]- 431.08358 213.8
[M+Na-2H]- 393.04440 180.8
[M]+ 372.06918 172.3
[M]- 372.07028 172.3
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.