CID 59637102

1-(tert-butoxy)-2-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C11H13F3O
SMILES
CC(C)(C)OC1=CC=CC=C1C(F)(F)F
InChI
InChI=1S/C11H13F3O/c1-10(2,3)15-9-7-5-4-6-8(9)11(12,13)14/h4-7H,1-3H3
InChIKey
MTFDNOVBCVEBDH-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

218.09184 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.099116 144.3
[M+Na]+ 241.081058 153.1
[M-H]- 217.084564 144.5
[M+NH4]+ 236.125663 163.3
[M+K]+ 257.054998 150.8
[M+H-H2O]+ 201.089100 136.9
[M+HCOO]- 263.090041 162.1
[M+CH3COO]- 277.105691 188.4
[M+Na-2H]- 239.066506 150.4
[M]+ 218.09129142 142.0
[M]- 218.09238858 142.0
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

patents stripe