CID 64064845

[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine

Structural Information

Molecular Formula
C12H16ClFN2
SMILES
CN1CCC(C1C2=CC(=C(C=C2)Cl)F)CN
InChI
InChI=1S/C12H16ClFN2/c1-16-5-4-9(7-15)12(16)8-2-3-10(13)11(14)6-8/h2-3,6,9,12H,4-5,7,15H2,1H3
InChIKey
ROGPDGDVTBVNPY-UHFFFAOYSA-N
Compound name
[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0986 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10588 154.3
[M+Na]+ 265.08782 163.3
[M-H]- 241.09132 157.9
[M+NH4]+ 260.13242 173.1
[M+K]+ 281.06176 157.5
[M+H-H2O]+ 225.09586 146.8
[M+HCOO]- 287.09680 170.5
[M+CH3COO]- 301.11245 194.4
[M+Na-2H]- 263.07327 154.1
[M]+ 242.09805 151.8
[M]- 242.09915 151.8
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.