CID 112564394

3-(3,5-dimethylphenyl)-3-fluoropyrrolidine hydrochloride

Structural Information

Molecular Formula
C12H16FN
SMILES
CC1=CC(=CC(=C1)C2(CCNC2)F)C
InChI
InChI=1S/C12H16FN/c1-9-5-10(2)7-11(6-9)12(13)3-4-14-8-12/h5-7,14H,3-4,8H2,1-2H3
InChIKey
ADHGNNOHHQBYPO-UHFFFAOYSA-N
Compound name
3-(3,5-dimethylphenyl)-3-fluoropyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.12668 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.133956 142.0
[M+Na]+ 216.115898 149.9
[M-H]- 192.119404 144.9
[M+NH4]+ 211.160503 163.4
[M+K]+ 232.089838 145.8
[M+H-H2O]+ 176.123940 135.0
[M+HCOO]- 238.124881 161.2
[M+CH3COO]- 252.140531 181.1
[M+Na-2H]- 214.101346 145.2
[M]+ 193.12613142 136.9
[M]- 193.12722858 136.9
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.