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]+ 219.09912 144.3
[M+Na]+ 241.08106 153.1
[M-H]- 217.08456 144.5
[M+NH4]+ 236.12566 163.3
[M+K]+ 257.05500 150.8
[M+H-H2O]+ 201.08910 136.9
[M+HCOO]- 263.09004 162.1
[M+CH3COO]- 277.10569 188.4
[M+Na-2H]- 239.06651 150.4
[M]+ 218.09129 142.0
[M]- 218.09239 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

No patent data available for this compound.