CID 24845502

102584-54-3

Structural Information

Molecular Formula
C22H23F6NO
SMILES
CC(CN1CCCC1)C(C2=CC=CC=C2C(F)(F)F)(C3=CC=CC=C3C(F)(F)F)O
InChI
InChI=1S/C22H23F6NO/c1-15(14-29-12-6-7-13-29)20(30,16-8-2-4-10-18(16)21(23,24)25)17-9-3-5-11-19(17)22(26,27)28/h2-5,8-11,15,30H,6-7,12-14H2,1H3
InChIKey
JOZOAXYSNLKYSD-UHFFFAOYSA-N
Compound name
2-methyl-3-pyrrolidin-1-yl-1,1-bis[2-(trifluoromethyl)phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.1684 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.17568 201.2
[M+Na]+ 454.15762 204.9
[M+NH4]+ 449.20222 202.4
[M+K]+ 470.13156 201.8
[M-H]- 430.16112 195.9
[M+Na-2H]- 452.14307 202.0
[M]+ 431.16785 199.8
[M]- 431.16895 199.8
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.