CID 104688109

2089277-23-4

Structural Information

Molecular Formula
C12H15ClFN
SMILES
CC1(CCCN1)CC2=CC(=C(C=C2)Cl)F
InChI
InChI=1S/C12H15ClFN/c1-12(5-2-6-15-12)8-9-3-4-10(13)11(14)7-9/h3-4,7,15H,2,5-6,8H2,1H3
InChIKey
DEEYDYMOOUAFJT-UHFFFAOYSA-N
Compound name
2-[(4-chloro-3-fluorophenyl)methyl]-2-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0877 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09498 148.6
[M+Na]+ 250.07692 157.2
[M-H]- 226.08042 151.1
[M+NH4]+ 245.12152 169.4
[M+K]+ 266.05086 151.2
[M+H-H2O]+ 210.08496 141.9
[M+HCOO]- 272.08590 163.1
[M+CH3COO]- 286.10155 160.6
[M+Na-2H]- 248.06237 151.2
[M]+ 227.08715 145.4
[M]- 227.08825 145.4
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.