CID 14427

1167-20-0

Structural Information

Molecular Formula
C20H28F3NO
SMILES
C1CCC2(CC1)CCN(CC2)CCCOC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C20H28F3NO/c21-20(22,23)17-6-4-7-18(16-17)25-15-5-12-24-13-10-19(11-14-24)8-2-1-3-9-19/h4,6-7,16H,1-3,5,8-15H2
InChIKey
DJBUNNYSMQHCMK-UHFFFAOYSA-N
Compound name
3-[3-[3-(trifluoromethyl)phenoxy]propyl]-3-azaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.2123 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.21958 188.3
[M+Na]+ 378.20152 190.6
[M-H]- 354.20502 189.1
[M+NH4]+ 373.24612 201.0
[M+K]+ 394.17546 185.2
[M+H-H2O]+ 338.20956 175.7
[M+HCOO]- 400.21050 197.2
[M+CH3COO]- 414.22615 211.3
[M+Na-2H]- 376.18697 188.8
[M]+ 355.21175 177.4
[M]- 355.21285 177.4
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.