CID 11743251

Wr 122455

Structural Information

Molecular Formula
C22H19F6NO
SMILES
C1CCN[C@H](C1)[C@H](C2=C3C=CC(=CC3=C4C=C(C=CC4=C2)C(F)(F)F)C(F)(F)F)O
InChI
InChI=1S/C22H19F6NO/c23-21(24,25)13-5-4-12-9-18(20(30)19-3-1-2-8-29-19)15-7-6-14(22(26,27)28)11-17(15)16(12)10-13/h4-7,9-11,19-20,29-30H,1-3,8H2/t19-,20+/m1/s1
InChIKey
FVVWTCZWVDUHPH-UXHICEINSA-N
Compound name
(S)-[3,6-bis(trifluoromethyl)phenanthren-9-yl]-[(2R)-piperidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

427.1371 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.14438 199.7
[M+Na]+ 450.12632 207.2
[M-H]- 426.12982 195.8
[M+NH4]+ 445.17092 208.5
[M+K]+ 466.10026 198.0
[M+H-H2O]+ 410.13436 185.9
[M+HCOO]- 472.13530 202.7
[M+CH3COO]- 486.15095 223.3
[M+Na-2H]- 448.11177 200.4
[M]+ 427.13655 187.5
[M]- 427.13765 187.5
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.