CID 5278374

Benzoxazole, 2-[1,1-difluoro-2-(4-fluorophenyl)-2-methoxyethyl]-

Structural Information

Molecular Formula
C16H12F3NO2
SMILES
COC(C1=CC=C(C=C1)F)C(C2=NC3=CC=CC=C3O2)(F)F
InChI
InChI=1S/C16H12F3NO2/c1-21-14(10-6-8-11(17)9-7-10)16(18,19)15-20-12-4-2-3-5-13(12)22-15/h2-9,14H,1H3
InChIKey
NINCSIQVCZZDEB-UHFFFAOYSA-N
Compound name
2-[1,1-difluoro-2-(4-fluorophenyl)-2-methoxyethyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.082 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08928 165.7
[M+Na]+ 330.07122 176.0
[M-H]- 306.07472 169.6
[M+NH4]+ 325.11582 180.7
[M+K]+ 346.04516 172.4
[M+H-H2O]+ 290.07926 155.6
[M+HCOO]- 352.08020 183.7
[M+CH3COO]- 366.09585 203.6
[M+Na-2H]- 328.05667 171.0
[M]+ 307.08145 166.9
[M]- 307.08255 166.9
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.