CID 2782726

4-((3-(trifluoromethyl)phenyl)sulfonyl)piperidine hydrochloride

Structural Information

Molecular Formula
C12H14F3NO2S
SMILES
C1CNCCC1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C12H14F3NO2S/c13-12(14,15)9-2-1-3-11(8-9)19(17,18)10-4-6-16-7-5-10/h1-3,8,10,16H,4-7H2
InChIKey
UJWTUOAIOMKSOW-UHFFFAOYSA-N
Compound name
4-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

293.06973 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07701 160.7
[M+Na]+ 316.05895 167.2
[M-H]- 292.06245 160.1
[M+NH4]+ 311.10355 174.2
[M+K]+ 332.03289 161.9
[M+H-H2O]+ 276.06699 151.4
[M+HCOO]- 338.06793 168.1
[M+CH3COO]- 352.08358 192.9
[M+Na-2H]- 314.04440 162.8
[M]+ 293.06918 153.2
[M]- 293.07028 153.2
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