CID 488285

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

Structural Information

Molecular Formula
C16H13F3N2O2
SMILES
C1=CC(=CC=C1C2N=CNO2)C(C(C3=CC=C(C=C3)F)O)(F)F
InChI
InChI=1S/C16H13F3N2O2/c17-13-7-3-10(4-8-13)14(22)16(18,19)12-5-1-11(2-6-12)15-20-9-21-23-15/h1-9,14-15,22H,(H,20,21)
InChIKey
NLHSCAJPWJKJLM-UHFFFAOYSA-N
Compound name
2-[4-(2,5-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-2,2-difluoro-1-(4-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.09293 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10021 169.4
[M+Na]+ 345.08215 176.6
[M-H]- 321.08565 170.8
[M+NH4]+ 340.12675 179.3
[M+K]+ 361.05609 171.5
[M+H-H2O]+ 305.09019 158.2
[M+HCOO]- 367.09113 181.8
[M+CH3COO]- 381.10678 200.3
[M+Na-2H]- 343.06760 171.4
[M]+ 322.09238 163.3
[M]- 322.09348 163.3
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.