CID 91654579

3-fluoro-3-[2-(trifluoromethoxy)phenyl]pyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H11F4NO
SMILES
C1CNCC1(C2=CC=CC=C2OC(F)(F)F)F
InChI
InChI=1S/C11H11F4NO/c12-10(5-6-16-7-10)8-3-1-2-4-9(8)17-11(13,14)15/h1-4,16H,5-7H2
InChIKey
ZBFGDECGPFXOQX-UHFFFAOYSA-N
Compound name
3-fluoro-3-[2-(trifluoromethoxy)phenyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.07768 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08496 149.9
[M+Na]+ 272.06690 157.8
[M-H]- 248.07040 148.7
[M+NH4]+ 267.11150 168.5
[M+K]+ 288.04084 153.6
[M+H-H2O]+ 232.07494 140.3
[M+HCOO]- 294.07588 164.8
[M+CH3COO]- 308.09153 187.1
[M+Na-2H]- 270.05235 153.4
[M]+ 249.07713 141.4
[M]- 249.07823 141.4
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.