CID 2776457

387350-88-1

Structural Information

Molecular Formula
C12H15F3N2O2S
SMILES
C1CNCCC1NC2=CC(=CC=C2)S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C12H15F3N2O2S/c13-12(14,15)20(18,19)11-3-1-2-10(8-11)17-9-4-6-16-7-5-9/h1-3,8-9,16-17H,4-7H2
InChIKey
ROFHAFYHOWVRTC-UHFFFAOYSA-N
Compound name
N-[3-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

308.08063 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.08791 165.9
[M+Na]+ 331.06985 172.0
[M+NH4]+ 326.11445 170.1
[M+K]+ 347.04379 166.5
[M-H]- 307.07335 162.9
[M+Na-2H]- 329.05530 169.2
[M]+ 308.08008 165.8
[M]- 308.08118 165.8
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

patents stripe