CID 91663071

3-fluoro-3-[4-(trifluoromethyl)phenyl]pyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H11F4N
SMILES
C1CNCC1(C2=CC=C(C=C2)C(F)(F)F)F
InChI
InChI=1S/C11H11F4N/c12-10(5-6-16-7-10)8-1-3-9(4-2-8)11(13,14)15/h1-4,16H,5-7H2
InChIKey
YGMYKGYDSIXSJJ-UHFFFAOYSA-N
Compound name
3-fluoro-3-[4-(trifluoromethyl)phenyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

233.08276 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09004 146.6
[M+Na]+ 256.07198 154.7
[M-H]- 232.07548 145.4
[M+NH4]+ 251.11658 166.0
[M+K]+ 272.04592 150.0
[M+H-H2O]+ 216.08002 137.2
[M+HCOO]- 278.08096 161.3
[M+CH3COO]- 292.09661 185.1
[M+Na-2H]- 254.05743 150.0
[M]+ 233.08221 136.7
[M]- 233.08331 136.7
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