CID 395776

Nsc700595

Structural Information

Molecular Formula
C17H15F2NO2
SMILES
CC1=CC(=CC(=C1C)C)OC(C2=NC3=CC=CC=C3O2)(F)F
InChI
InChI=1S/C17H15F2NO2/c1-10-8-13(9-11(2)12(10)3)22-17(18,19)16-20-14-6-4-5-7-15(14)21-16/h4-9H,1-3H3
InChIKey
FTMHYFPBXOVWPP-UHFFFAOYSA-N
Compound name
2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1071 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11438 167.8
[M+Na]+ 326.09632 179.8
[M-H]- 302.09982 173.6
[M+NH4]+ 321.14092 183.8
[M+K]+ 342.07026 176.0
[M+H-H2O]+ 286.10436 158.9
[M+HCOO]- 348.10530 187.6
[M+CH3COO]- 362.12095 205.4
[M+Na-2H]- 324.08177 172.9
[M]+ 303.10655 171.8
[M]- 303.10765 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.