CID 62962972

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

Structural Information

Molecular Formula
C9H8ClF3O
SMILES
C1=CC(=CC(=C1)Cl)CC(C(F)(F)F)O
InChI
InChI=1S/C9H8ClF3O/c10-7-3-1-2-6(4-7)5-8(14)9(11,12)13/h1-4,8,14H,5H2
InChIKey
SVEIEDFKSFGRES-UHFFFAOYSA-N
Compound name
3-(3-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]+ 225.02886 139.9
[M+Na]+ 247.01080 149.0
[M-H]- 223.01430 138.5
[M+NH4]+ 242.05540 158.5
[M+K]+ 262.98474 144.2
[M+H-H2O]+ 207.01884 133.3
[M+HCOO]- 269.01978 153.0
[M+CH3COO]- 283.03543 184.5
[M+Na-2H]- 244.99625 144.3
[M]+ 224.02103 137.1
[M]- 224.02213 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.