CID 5278395

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

Structural Information

Molecular Formula
C15H10F3NO
SMILES
C1=CC=C2C(=C1)N=C(O2)C(CC3=CC=C(C=C3)F)(F)F
InChI
InChI=1S/C15H10F3NO/c16-11-7-5-10(6-8-11)9-15(17,18)14-19-12-3-1-2-4-13(12)20-14/h1-8H,9H2
InChIKey
VNUPEAQGCNLRKX-UHFFFAOYSA-N
Compound name
2-[1,1-difluoro-2-(4-fluorophenyl)ethyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.07144 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07872 157.5
[M+Na]+ 300.06066 168.8
[M-H]- 276.06416 161.4
[M+NH4]+ 295.10526 173.9
[M+K]+ 316.03460 164.2
[M+H-H2O]+ 260.06870 147.7
[M+HCOO]- 322.06964 176.7
[M+CH3COO]- 336.08529 170.1
[M+Na-2H]- 298.04611 164.4
[M]+ 277.07089 157.6
[M]- 277.07199 157.6
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.