CID 54592855

3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol

Structural Information

Molecular Formula
C9H8ClF3O
SMILES
C1=CC(=CC=C1CC(C(F)(F)F)O)Cl
InChI
InChI=1S/C9H8ClF3O/c10-7-3-1-6(2-4-7)5-8(14)9(11,12)13/h1-4,8,14H,5H2
InChIKey
IYYUIIVBJNRBSG-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02158 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.028856 139.9
[M+Na]+ 247.010798 149.0
[M-H]- 223.014304 138.5
[M+NH4]+ 242.055403 158.5
[M+K]+ 262.984738 144.2
[M+H-H2O]+ 207.018840 133.3
[M+HCOO]- 269.019781 153.0
[M+CH3COO]- 283.035431 184.5
[M+Na-2H]- 244.996246 144.3
[M]+ 224.02103142 137.1
[M]- 224.02212858 137.1
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.