CID 125498344

Dtxsid60896007

Structural Information

Molecular Formula
C8H6F13NO2S
SMILES
CN(C)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H6F13NO2S/c1-22(2)25(23,24)8(20,21)6(15,16)4(11,12)3(9,10)5(13,14)7(17,18)19/h1-2H3
InChIKey
XXWVQQPYWSIJGT-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-dimethylhexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

426.99118 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.99846 173.4
[M+Na]+ 449.98040 181.5
[M-H]- 425.98390 169.5
[M+NH4]+ 445.02500 173.2
[M+K]+ 465.95434 179.3
[M+H-H2O]+ 409.98844 159.1
[M+HCOO]- 471.98938 182.7
[M+CH3COO]- 486.00503 226.7
[M+Na-2H]- 447.96585 176.6
[M]+ 426.99063 164.3
[M]- 426.99173 164.3
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