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]+ 198.10889 140.1
[M+Na]+ 220.09083 148.5
[M-H]- 196.09433 141.8
[M+NH4]+ 215.13543 161.3
[M+K]+ 236.06477 144.2
[M+H-H2O]+ 180.09887 132.3
[M+HCOO]- 242.09981 158.6
[M+CH3COO]- 256.11546 180.8
[M+Na-2H]- 218.07628 143.3
[M]+ 197.10106 133.6
[M]- 197.10216 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.