CID 121600089

4-(2,2,2-trifluoroethyl)piperazine-1-sulfonylchloride

Structural Information

Molecular Formula
C6H10ClF3N2O2S
SMILES
C1CN(CCN1CC(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C6H10ClF3N2O2S/c7-15(13,14)12-3-1-11(2-4-12)5-6(8,9)10/h1-5H2
InChIKey
ZQKFYGAAYBBNSU-UHFFFAOYSA-N
Compound name
4-(2,2,2-trifluoroethyl)piperazine-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.01038 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.01766 148.5
[M+Na]+ 288.99960 156.8
[M-H]- 265.00310 145.3
[M+NH4]+ 284.04420 163.6
[M+K]+ 304.97354 152.9
[M+H-H2O]+ 249.00764 140.5
[M+HCOO]- 311.00858 151.9
[M+CH3COO]- 325.02423 188.3
[M+Na-2H]- 286.98505 150.9
[M]+ 266.00983 145.2
[M]- 266.01093 145.2
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

No patent data available for this compound.