CID 64157446

1795284-00-2

Structural Information

Molecular Formula
C11H12F3NO
SMILES
C1C(CNC1C2=CC=CC=C2C(F)(F)F)O
InChI
InChI=1S/C11H12F3NO/c12-11(13,14)9-4-2-1-3-8(9)10-5-7(16)6-15-10/h1-4,7,10,15-16H,5-6H2
InChIKey
MHSWZBHVZZQQLL-UHFFFAOYSA-N
Compound name
5-[2-(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]+ 232.09438 147.6
[M+Na]+ 254.07632 155.0
[M-H]- 230.07982 146.4
[M+NH4]+ 249.12092 164.6
[M+K]+ 270.05026 150.1
[M+H-H2O]+ 214.08436 138.9
[M+HCOO]- 276.08530 162.0
[M+CH3COO]- 290.10095 183.3
[M+Na-2H]- 252.06177 149.4
[M]+ 231.08655 138.5
[M]- 231.08765 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.