CID 125499013

Dtxsid10896178

Structural Information

Molecular Formula
C12H14F13NO4S
SMILES
COCCN(CCOC)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/C12H14F13NO4S/c1-29-5-3-26(4-6-30-2)31(27,28)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23/h3-6H2,1-2H3
InChIKey
HEHHZSJJWMGGNV-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-bis(2-methoxyethyl)hexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

515.0436 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.05088 179.8
[M+Na]+ 538.03282 185.8
[M-H]- 514.03632 186.3
[M+NH4]+ 533.07742 191.3
[M+K]+ 554.00676 191.7
[M+H-H2O]+ 498.04086 171.1
[M+HCOO]- 560.04180 198.2
[M+CH3COO]- 574.05745 240.7
[M+Na-2H]- 536.01827 176.5
[M]+ 515.04305 180.9
[M]- 515.04415 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.