CID 2554578

1-[4-(trifluoromethyl)benzenesulfonyl]piperazine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
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 164.4
[M+Na]+ 317.05419 171.6
[M+NH4]+ 312.09879 168.5
[M+K]+ 333.02813 166.1
[M-H]- 293.05769 160.5
[M+Na-2H]- 315.03964 167.5
[M]+ 294.06442 164.3
[M]- 294.06552 164.3
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