CID 83816844

3-fluoro-3-(3-methylphenyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H14FN
SMILES
CC1=CC(=CC=C1)C2(CCNC2)F
InChI
InChI=1S/C11H14FN/c1-9-3-2-4-10(7-9)11(12)5-6-13-8-11/h2-4,7,13H,5-6,8H2,1H3
InChIKey
DNIPLAIHBDOIMM-UHFFFAOYSA-N
Compound name
3-fluoro-3-(3-methylphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.11102 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.118296 138.1
[M+Na]+ 202.100238 145.5
[M-H]- 178.103744 140.7
[M+NH4]+ 197.144843 159.8
[M+K]+ 218.074178 141.7
[M+H-H2O]+ 162.108280 130.9
[M+HCOO]- 224.109221 157.6
[M+CH3COO]- 238.124871 150.6
[M+Na-2H]- 200.085686 142.5
[M]+ 179.11047142 132.3
[M]- 179.11156858 132.3
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

No patent data available for this compound.