CID 10192676

2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol

Structural Information

Molecular Formula
C11H13F3O
SMILES
CC(C)C(C1=CC=C(C=C1)C(F)(F)F)O
InChI
InChI=1S/C11H13F3O/c1-7(2)10(15)8-3-5-9(6-4-8)11(12,13)14/h3-7,10,15H,1-2H3
InChIKey
YNQTYYXTRWBZJT-UHFFFAOYSA-N
Compound name
2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

218.09184 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.099116 144.6
[M+Na]+ 241.081058 151.8
[M-H]- 217.084564 143.0
[M+NH4]+ 236.125663 162.5
[M+K]+ 257.054998 149.1
[M+H-H2O]+ 201.089100 136.9
[M+HCOO]- 263.090041 160.5
[M+CH3COO]- 277.105691 187.6
[M+Na-2H]- 239.066506 147.0
[M]+ 218.09129142 139.7
[M]- 218.09238858 139.7
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