CID 21120017

3-(3-(trifluoromethyl)phenyl)pyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula
C11H12F3NO
SMILES
C1CNCC1(C2=CC(=CC=C2)C(F)(F)F)O
InChI
InChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-2-8(6-9)10(16)4-5-15-7-10/h1-3,6,15-16H,4-5,7H2
InChIKey
FEZHIKGQODPJMI-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

231.0871 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09438 153.1
[M+Na]+ 254.07632 160.7
[M+NH4]+ 249.12092 159.8
[M+K]+ 270.05026 155.7
[M-H]- 230.07982 150.1
[M+Na-2H]- 252.06177 158.0
[M]+ 231.08655 153.1
[M]- 231.08765 153.1
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

patents stripe