CID 14661393

87988-56-5

Structural Information

Molecular Formula
C8H6F13NO2S
SMILES
CCNS(=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/c1-2-22-25(23,24)8(20,21)6(15,16)4(11,12)3(9,10)5(13,14)7(17,18)19/h22H,2H2,1H3
InChIKey
ZIUMOXWDLICQQC-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

426.99118 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.99846 175.1
[M+Na]+ 449.98040 183.0
[M-H]- 425.98390 160.7
[M+NH4]+ 445.02500 165.9
[M+K]+ 465.95434 179.5
[M+H-H2O]+ 409.98844 160.8
[M+HCOO]- 471.98938 179.5
[M+CH3COO]- 486.00503 223.7
[M+Na-2H]- 447.96585 178.7
[M]+ 426.99063 157.2
[M]- 426.99173 157.2
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