CID 5278375

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

Structural Information

Molecular Formula
C22H17F2NO2
SMILES
COC(C1=CC=C(C=C1)C2=CC=CC=C2)C(C3=NC4=CC=CC=C4O3)(F)F
InChI
InChI=1S/C22H17F2NO2/c1-26-20(17-13-11-16(12-14-17)15-7-3-2-4-8-15)22(23,24)21-25-18-9-5-6-10-19(18)27-21/h2-14,20H,1H3
InChIKey
OOKJNGSDJABDKM-UHFFFAOYSA-N
Compound name
2-[1,1-difluoro-2-methoxy-2-(4-phenylphenyl)ethyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.12274 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.13002 185.2
[M+Na]+ 388.11196 193.9
[M-H]- 364.11546 193.0
[M+NH4]+ 383.15656 197.1
[M+K]+ 404.08590 189.0
[M+H-H2O]+ 348.12000 174.1
[M+HCOO]- 410.12094 203.3
[M+CH3COO]- 424.13659 195.7
[M+Na-2H]- 386.09741 189.8
[M]+ 365.12219 186.7
[M]- 365.12329 186.7
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.