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]+ 329.033276 165.2
[M+Na]+ 351.015218 173.4
[M-H]- 327.018724 163.7
[M+NH4]+ 346.059823 177.0
[M+K]+ 366.989158 166.7
[M+H-H2O]+ 311.023260 156.0
[M+HCOO]- 373.024201 167.0
[M+CH3COO]- 387.039851 197.5
[M+Na-2H]- 349.000666 166.8
[M]+ 328.02545142 160.2
[M]- 328.02654858 160.2
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