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]+ 194.13396 142.0
[M+Na]+ 216.11590 149.9
[M-H]- 192.11940 144.9
[M+NH4]+ 211.16050 163.4
[M+K]+ 232.08984 145.8
[M+H-H2O]+ 176.12394 135.0
[M+HCOO]- 238.12488 161.2
[M+CH3COO]- 252.14053 181.1
[M+Na-2H]- 214.10135 145.2
[M]+ 193.12613 136.9
[M]- 193.12723 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.