CID 30761

21704-21-2

Structural Information

Molecular Formula
C21H27F4NO
SMILES
C1CC(CC2(C1)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(F)(F)F
InChI
InChI=1S/C21H27F4NO/c22-18-7-5-16(6-8-18)19(27)4-2-12-26-13-10-20(11-14-26)9-1-3-17(15-20)21(23,24)25/h5-8,17H,1-4,9-15H2
InChIKey
CLRQXMRTTXJHLG-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.20288 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.21016 194.4
[M+Na]+ 408.19210 197.4
[M-H]- 384.19560 194.2
[M+NH4]+ 403.23670 206.0
[M+K]+ 424.16604 191.3
[M+H-H2O]+ 368.20014 181.4
[M+HCOO]- 430.20108 201.1
[M+CH3COO]- 444.21673 218.2
[M+Na-2H]- 406.17755 192.1
[M]+ 385.20233 181.9
[M]- 385.20343 181.9
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.