CID 60798533

2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.09184 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09912 144.6
[M+Na]+ 241.08106 151.8
[M-H]- 217.08456 143.0
[M+NH4]+ 236.12566 162.5
[M+K]+ 257.05500 149.1
[M+H-H2O]+ 201.08910 136.9
[M+HCOO]- 263.09004 160.5
[M+CH3COO]- 277.10569 187.6
[M+Na-2H]- 239.06651 147.0
[M]+ 218.09129 139.7
[M]- 218.09239 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

No patent data available for this compound.