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 152.7
[M+Na]+ 265.08782 164.6
[M+NH4]+ 260.13242 161.1
[M+K]+ 281.06176 158.9
[M-H]- 241.09132 155.3
[M+Na-2H]- 263.07327 158.3
[M]+ 242.09805 155.2
[M]- 242.09915 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.