CID 15605612

Lafadofensine

Structural Information

Molecular Formula
C16H16F2N2
SMILES
C1CNC[C@H]1N(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H16F2N2/c17-12-1-5-14(6-2-12)20(16-9-10-19-11-16)15-7-3-13(18)4-8-15/h1-8,16,19H,9-11H2/t16-/m0/s1
InChIKey
ZKEVVJGPWXTETN-INIZCTEOSA-N
Compound name
(3S)-N,N-bis(4-fluorophenyl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

274.12814 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13542 160.3
[M+Na]+ 297.11736 166.1
[M-H]- 273.12086 165.7
[M+NH4]+ 292.16196 176.0
[M+K]+ 313.09130 160.8
[M+H-H2O]+ 257.12540 149.5
[M+HCOO]- 319.12634 179.9
[M+CH3COO]- 333.14199 170.9
[M+Na-2H]- 295.10281 161.7
[M]+ 274.12759 153.4
[M]- 274.12869 153.4
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

patents stripe