CID 138040366

2243516-81-4

Structural Information

Molecular Formula
C6H11ClF2N2O2S
SMILES
C1CN(CCN1CC(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C6H11ClF2N2O2S/c7-14(12,13)11-3-1-10(2-4-11)5-6(8)9/h6H,1-5H2
InChIKey
AYEOYAZQYFBPEX-UHFFFAOYSA-N
Compound name
4-(2,2-difluoroethyl)piperazine-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.01978 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.02706 144.6
[M+Na]+ 271.00900 152.3
[M-H]- 247.01250 142.5
[M+NH4]+ 266.05360 160.3
[M+K]+ 286.98294 148.8
[M+H-H2O]+ 231.01704 137.2
[M+HCOO]- 293.01798 149.5
[M+CH3COO]- 307.03363 186.5
[M+Na-2H]- 268.99445 145.6
[M]+ 248.01923 142.6
[M]- 248.02033 142.6
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.