CID 28606469

1332886-65-3

Structural Information

Molecular Formula
C5H10F2N2O2S
SMILES
C1CN(CCN1)S(=O)(=O)C(F)F
InChI
InChI=1S/C5H10F2N2O2S/c6-5(7)12(10,11)9-3-1-8-2-4-9/h5,8H,1-4H2
InChIKey
ZHWKFHYSNUEPAC-UHFFFAOYSA-N
Compound name
1-(difluoromethylsulfonyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

200.0431 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.05038 137.3
[M+Na]+ 223.03232 143.5
[M-H]- 199.03582 133.5
[M+NH4]+ 218.07692 153.0
[M+K]+ 239.00626 141.0
[M+H-H2O]+ 183.04036 129.3
[M+HCOO]- 245.04130 145.6
[M+CH3COO]- 259.05695 176.0
[M+Na-2H]- 221.01777 139.2
[M]+ 200.04255 130.8
[M]- 200.04365 130.8
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