CID 14661392

N-ethylperfluorobutanesulfonamide

Structural Information

Molecular Formula
C6H6F9NO2S
SMILES
CCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H6F9NO2S/c1-2-16-19(17,18)6(14,15)4(9,10)3(7,8)5(11,12)13/h16H,2H2,1H3
InChIKey
SSTPSALUCQWOOV-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

24
Patents

326.99756 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.00484 155.1
[M+Na]+ 349.98678 163.3
[M-H]- 325.99028 144.5
[M+NH4]+ 345.03138 168.3
[M+K]+ 365.96072 160.3
[M+H-H2O]+ 309.99482 143.5
[M+HCOO]- 371.99576 158.1
[M+CH3COO]- 386.01141 205.6
[M+Na-2H]- 347.97223 159.0
[M]+ 326.99701 143.8
[M]- 326.99811 143.8
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

patents stripe