CID 2384691

1-[2-(trifluoromethyl)benzenesulfonyl]piperazine hydrochloride

Structural Information

Molecular Formula
C11H13F3N2O2S
SMILES
C1CN(CCN1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C11H13F3N2O2S/c12-11(13,14)9-3-1-2-4-10(9)19(17,18)16-7-5-15-6-8-16/h1-4,15H,5-8H2
InChIKey
ORKWJTQNAUIMAZ-UHFFFAOYSA-N
Compound name
1-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

294.06497 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07225 161.2
[M+Na]+ 317.05419 168.0
[M-H]- 293.05769 159.3
[M+NH4]+ 312.09879 173.2
[M+K]+ 333.02813 162.7
[M+H-H2O]+ 277.06223 151.2
[M+HCOO]- 339.06317 167.5
[M+CH3COO]- 353.07882 192.6
[M+Na-2H]- 315.03964 163.7
[M]+ 294.06442 153.7
[M]- 294.06552 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe