CID 62355171

3-(2,6-difluorophenyl)-3-methylpyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H13F2N
SMILES
CC1(CCNC1)C2=C(C=CC=C2F)F
InChI
InChI=1S/C11H13F2N/c1-11(5-6-14-7-11)10-8(12)3-2-4-9(10)13/h2-4,14H,5-7H2,1H3
InChIKey
OOKXCWYOWWCFGF-UHFFFAOYSA-N
Compound name
3-(2,6-difluorophenyl)-3-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.10161 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.108886 140.1
[M+Na]+ 220.090828 148.5
[M-H]- 196.094334 141.8
[M+NH4]+ 215.135433 161.3
[M+K]+ 236.064768 144.2
[M+H-H2O]+ 180.098870 132.3
[M+HCOO]- 242.099811 158.6
[M+CH3COO]- 256.115461 180.8
[M+Na-2H]- 218.076276 143.3
[M]+ 197.10106142 133.6
[M]- 197.10215858 133.6
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.