CID 47002646

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

Structural Information

Molecular Formula
C9H9ClF3NO
SMILES
C1=CC(=CC=C1C(CN)(C(F)(F)F)O)Cl
InChI
InChI=1S/C9H9ClF3NO/c10-7-3-1-6(2-4-7)8(15,5-14)9(11,12)13/h1-4,15H,5,14H2
InChIKey
STTNIAOMTGSCFK-UHFFFAOYSA-N
Compound name
3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

239.03247 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03975 145.3
[M+Na]+ 262.02169 154.2
[M-H]- 238.02519 143.5
[M+NH4]+ 257.06629 162.8
[M+K]+ 277.99563 149.0
[M+H-H2O]+ 222.02973 138.7
[M+HCOO]- 284.03067 158.1
[M+CH3COO]- 298.04632 188.3
[M+Na-2H]- 260.00714 150.8
[M]+ 239.03192 140.8
[M]- 239.03302 140.8
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