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 198.4
[M+Na]+ 454.15762 203.5
[M-H]- 430.16112 197.2
[M+NH4]+ 449.20222 207.3
[M+K]+ 470.13156 196.8
[M+H-H2O]+ 414.16566 185.3
[M+HCOO]- 476.16660 204.4
[M+CH3COO]- 490.18225 223.8
[M+Na-2H]- 452.14307 196.5
[M]+ 431.16785 187.3
[M]- 431.16895 187.3
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.