CID 58519956

Schembl2754925

Structural Information

Molecular Formula
C4HF10NO4S2
SMILES
C(C(F)(F)S(=O)(=O)NC(F)(F)F)(C(F)(F)S(=O)(=O)F)(F)F
InChI
InChI=1S/C4HF10NO4S2/c5-1(6,2(7,8)20(14,16)17)3(9,10)21(18,19)15-4(11,12)13/h15H
InChIKey
XHZUSSHMIJGILB-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfamoyl)propane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

380.91873 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.92601 159.9
[M+Na]+ 403.90795 167.7
[M-H]- 379.91145 147.7
[M+NH4]+ 398.95255 170.1
[M+K]+ 419.88189 163.6
[M+H-H2O]+ 363.91599 147.1
[M+HCOO]- 425.91693 156.8
[M+CH3COO]- 439.93258 209.6
[M+Na-2H]- 401.89340 164.9
[M]+ 380.91818 148.0
[M]- 380.91928 148.0
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