CID 129953855

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

Structural Information

Molecular Formula
C11H12F3NO
SMILES
C1CNCC1C2=CC(=CC=C2)OC(F)(F)F
InChI
InChI=1S/C11H12F3NO/c12-11(13,14)16-10-3-1-2-8(6-10)9-4-5-15-7-9/h1-3,6,9,15H,4-5,7H2
InChIKey
HVWNWEKZBJRTEE-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethoxy)phenyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

231.0871 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09438 154.3
[M+Na]+ 254.07632 162.2
[M+NH4]+ 249.12092 159.9
[M+K]+ 270.05026 158.4
[M-H]- 230.07982 151.8
[M+Na-2H]- 252.06177 158.1
[M]+ 231.08655 154.3
[M]- 231.08765 154.3
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