CID 5278391

2-[1,1,2,2-tetrafluoro-2-(4-fluorophenyl)ethyl]-1,3-benzoxazole

Structural Information

Molecular Formula
C15H8F5NO
SMILES
C1=CC=C2C(=C1)N=C(O2)C(C(C3=CC=C(C=C3)F)(F)F)(F)F
InChI
InChI=1S/C15H8F5NO/c16-10-7-5-9(6-8-10)14(17,18)15(19,20)13-21-11-3-1-2-4-12(11)22-13/h1-8H
InChIKey
MCMUKLXWVIFNJL-UHFFFAOYSA-N
Compound name
2-[1,1,2,2-tetrafluoro-2-(4-fluorophenyl)ethyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.0526 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.05988 164.0
[M+Na]+ 336.04182 175.8
[M-H]- 312.04532 165.6
[M+NH4]+ 331.08642 178.8
[M+K]+ 352.01576 170.8
[M+H-H2O]+ 296.04986 152.8
[M+HCOO]- 358.05080 179.4
[M+CH3COO]- 372.06645 203.9
[M+Na-2H]- 334.02727 170.6
[M]+ 313.05205 161.2
[M]- 313.05315 161.2
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

No patent data available for this compound.