CID 60921764

1803581-08-9

Structural Information

Molecular Formula
C8H16F2N2O2S
SMILES
CS(=O)(=O)N1CCC(CC1)NCC(F)F
InChI
InChI=1S/C8H16F2N2O2S/c1-15(13,14)12-4-2-7(3-5-12)11-6-8(9)10/h7-8,11H,2-6H2,1H3
InChIKey
QUYPWYFIKAFNLR-UHFFFAOYSA-N
Compound name
N-(2,2-difluoroethyl)-1-methylsulfonylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.09006 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09734 149.0
[M+Na]+ 265.07928 154.3
[M-H]- 241.08278 147.7
[M+NH4]+ 260.12388 165.0
[M+K]+ 281.05322 151.9
[M+H-H2O]+ 225.08732 140.8
[M+HCOO]- 287.08826 160.0
[M+CH3COO]- 301.10391 190.9
[M+Na-2H]- 263.06473 149.9
[M]+ 242.08951 144.6
[M]- 242.09061 144.6
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.