CID 217345

38644-01-8

Structural Information

Molecular Formula
C21H20F3NO
SMILES
C1CCNC(C1)C(C2=CC3=C(C=CC(=C3)C(F)(F)F)C4=CC=CC=C42)O
InChI
InChI=1S/C21H20F3NO/c22-21(23,24)14-8-9-15-13(11-14)12-18(17-6-2-1-5-16(15)17)20(26)19-7-3-4-10-25-19/h1-2,5-6,8-9,11-12,19-20,25-26H,3-4,7,10H2
InChIKey
WITQTPRCDISTBQ-UHFFFAOYSA-N
Compound name
piperidin-2-yl-[2-(trifluoromethyl)phenanthren-9-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1497 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.15698 183.7
[M+Na]+ 382.13892 190.0
[M-H]- 358.14242 183.3
[M+NH4]+ 377.18352 195.1
[M+K]+ 398.11286 181.7
[M+H-H2O]+ 342.14696 172.2
[M+HCOO]- 404.14790 192.0
[M+CH3COO]- 418.16355 190.8
[M+Na-2H]- 380.12437 186.7
[M]+ 359.14915 174.7
[M]- 359.15025 174.7
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.