CID 64156785

5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula
C11H12F3NO
SMILES
C1C(CNC1C2=CC=C(C=C2)C(F)(F)F)O
InChI
InChI=1S/C11H12F3NO/c12-11(13,14)8-3-1-7(2-4-8)10-5-9(16)6-15-10/h1-4,9-10,15-16H,5-6H2
InChIKey
FPTFXGDKGHRBMJ-UHFFFAOYSA-N
Compound name
5-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.0871 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.094376 147.6
[M+Na]+ 254.076318 155.0
[M-H]- 230.079824 146.4
[M+NH4]+ 249.120923 164.6
[M+K]+ 270.050258 150.1
[M+H-H2O]+ 214.084360 138.9
[M+HCOO]- 276.085301 162.0
[M+CH3COO]- 290.100951 183.3
[M+Na-2H]- 252.061766 149.4
[M]+ 231.08655142 138.5
[M]- 231.08764858 138.5
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.