CID 5278373

Benzoxazole, 2-(1,1-difluoro-2-methoxy-2-phenylethyl)-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.09143 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09871 162.5
[M+Na]+ 312.08065 171.8
[M-H]- 288.08415 167.4
[M+NH4]+ 307.12525 178.0
[M+K]+ 328.05459 168.7
[M+H-H2O]+ 272.08869 153.2
[M+HCOO]- 334.08963 181.7
[M+CH3COO]- 348.10528 199.7
[M+Na-2H]- 310.06610 169.1
[M]+ 289.09088 164.4
[M]- 289.09198 164.4
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.