CID 393813

Nsc696592

Structural Information

Molecular Formula
C21H15F2NO2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C(C3=NC4=CC=CC=C4O3)(F)F)O
InChI
InChI=1S/C21H15F2NO2/c22-21(23,20-24-17-8-4-5-9-18(17)26-20)19(25)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,19,25H
InChIKey
LGWTVZUAPGUCEF-UHFFFAOYSA-N
Compound name
2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-(4-phenylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1071 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11438 179.9
[M+Na]+ 374.09632 188.7
[M-H]- 350.09982 186.6
[M+NH4]+ 369.14092 191.7
[M+K]+ 390.07026 183.2
[M+H-H2O]+ 334.10436 169.5
[M+HCOO]- 396.10530 196.9
[M+CH3COO]- 410.12095 190.3
[M+Na-2H]- 372.08177 184.8
[M]+ 351.10655 179.4
[M]- 351.10765 179.4
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.