CID 488281

1-(1,3-benzoxazol-2-yl)-1,1-difluoro-2-phenyl-propan-2-ol

Structural Information

Molecular Formula
C16H13F2NO2
SMILES
CC(C1=CC=CC=C1)(C(C2=NC3=CC=CC=C3O2)(F)F)O
InChI
InChI=1S/C16H13F2NO2/c1-15(20,11-7-3-2-4-8-11)16(17,18)14-19-12-9-5-6-10-13(12)21-14/h2-10,20H,1H3
InChIKey
LPHVTXKLWVJFEP-UHFFFAOYSA-N
Compound name
1-(1,3-benzoxazol-2-yl)-1,1-difluoro-2-phenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.09143 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09871 162.6
[M+Na]+ 312.08065 172.2
[M-H]- 288.08415 166.4
[M+NH4]+ 307.12525 177.6
[M+K]+ 328.05459 168.3
[M+H-H2O]+ 272.08869 154.2
[M+HCOO]- 334.08963 179.6
[M+CH3COO]- 348.10528 196.9
[M+Na-2H]- 310.06610 171.0
[M]+ 289.09088 162.7
[M]- 289.09198 162.7
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.