CID 395778

Nsc700597

Structural Information

Molecular Formula
C16H13F2NO2
SMILES
CC1=C(C(=CC=C1)C)OC(C2=NC3=CC=CC=C3O2)(F)F
InChI
InChI=1S/C16H13F2NO2/c1-10-6-5-7-11(2)14(10)21-16(17,18)15-19-12-8-3-4-9-13(12)20-15/h3-9H,1-2H3
InChIKey
JAHRKWZAOCUPQU-UHFFFAOYSA-N
Compound name
2-[(2,6-dimethylphenoxy)-difluoromethyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.09143 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09871 162.9
[M+Na]+ 312.08065 174.4
[M-H]- 288.08415 168.5
[M+NH4]+ 307.12525 179.1
[M+K]+ 328.05459 170.8
[M+H-H2O]+ 272.08869 153.9
[M+HCOO]- 334.08963 183.0
[M+CH3COO]- 348.10528 201.2
[M+Na-2H]- 310.06610 169.2
[M]+ 289.09088 166.2
[M]- 289.09198 166.2
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.