CID 5278381

Benzoxazole, 2-[1,1,2-trifluoro-2-(phenyl)ethyl]-

Structural Information

Molecular Formula
C15H10F3NO
SMILES
C1=CC=C(C=C1)C(C(C2=NC3=CC=CC=C3O2)(F)F)F
InChI
InChI=1S/C15H10F3NO/c16-13(10-6-2-1-3-7-10)15(17,18)14-19-11-8-4-5-9-12(11)20-14/h1-9,13H
InChIKey
ZMBCAHYJAVELKH-UHFFFAOYSA-N
Compound name
2-(1,1,2-trifluoro-2-phenylethyl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.07144 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07872 157.3
[M+Na]+ 300.06066 167.3
[M-H]- 276.06416 161.0
[M+NH4]+ 295.10526 173.3
[M+K]+ 316.03460 163.3
[M+H-H2O]+ 260.06870 147.4
[M+HCOO]- 322.06964 175.6
[M+CH3COO]- 336.08529 169.5
[M+Na-2H]- 298.04611 163.8
[M]+ 277.07089 156.4
[M]- 277.07199 156.4
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.