CID 71310355

1217464-23-7

Structural Information

Molecular Formula
C21H15F12N
SMILES
C1C[C@H](NC1)C(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C21H15F12N/c22-18(23,24)12-4-10(5-13(8-12)19(25,26)27)17(16-2-1-3-34-16)11-6-14(20(28,29)30)9-15(7-11)21(31,32)33/h4-9,16-17,34H,1-3H2/t16-/m0/s1
InChIKey
TVDWOGHBWBZKTA-INIZCTEOSA-N
Compound name
(2S)-2-[bis[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.1013 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.10858 209.6
[M+Na]+ 532.09052 218.0
[M-H]- 508.09402 202.4
[M+NH4]+ 527.13512 215.7
[M+K]+ 548.06446 209.2
[M+H-H2O]+ 492.09856 192.8
[M+HCOO]- 554.09950 208.0
[M+CH3COO]- 568.11515 236.7
[M+Na-2H]- 530.07597 204.4
[M]+ 509.10075 189.4
[M]- 509.10185 189.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.