CID 393812

Nsc696591

Structural Information

Molecular Formula
C15H11F2NO2
SMILES
C1=CC=C(C=C1)C(C(C2=NC3=CC=CC=C3O2)(F)F)O
InChI
InChI=1S/C15H11F2NO2/c16-15(17,13(19)10-6-2-1-3-7-10)14-18-11-8-4-5-9-12(11)20-14/h1-9,13,19H
InChIKey
CWKPDVXSCKWZGL-UHFFFAOYSA-N
Compound name
2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.07578 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08306 157.6
[M+Na]+ 298.06500 166.9
[M-H]- 274.06850 161.3
[M+NH4]+ 293.10960 172.9
[M+K]+ 314.03894 163.1
[M+H-H2O]+ 258.07304 148.8
[M+HCOO]- 320.07398 175.6
[M+CH3COO]- 334.08963 169.5
[M+Na-2H]- 296.05045 164.4
[M]+ 275.07523 157.3
[M]- 275.07633 157.3
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.