CID 2443160

1-[4-chloro-3-(trifluoromethyl)benzenesulfonyl]piperazine

Structural Information

Molecular Formula
C11H12ClF3N2O2S
SMILES
C1CN(CCN1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F
InChI
InChI=1S/C11H12ClF3N2O2S/c12-10-2-1-8(7-9(10)11(13,14)15)20(18,19)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2
InChIKey
RXZYZWZTSFNUHI-UHFFFAOYSA-N
Compound name
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

328.026 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.03328 168.4
[M+Na]+ 351.01522 176.4
[M+NH4]+ 346.05982 172.6
[M+K]+ 366.98916 170.5
[M-H]- 327.01872 164.6
[M+Na-2H]- 349.00067 171.4
[M]+ 328.02545 168.7
[M]- 328.02655 168.7
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