CID 61100888

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

Structural Information

Molecular Formula
C9H8ClF3O
SMILES
C1=CC(=CC=C1C(CC(F)(F)F)O)Cl
InChI
InChI=1S/C9H8ClF3O/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4,8,14H,5H2
InChIKey
KFULPSDZEIHRRE-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

224.02158 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02886 145.6
[M+Na]+ 247.01080 155.2
[M+NH4]+ 242.05540 151.7
[M+K]+ 262.98474 149.9
[M-H]- 223.01430 142.4
[M+Na-2H]- 244.99625 149.8
[M]+ 224.02103 146.1
[M]- 224.02213 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe