CID 105457

Einecs 266-741-9

Structural Information

Molecular Formula
C10H12F9NO4S
SMILES
CCN(CC(=O)OCC)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H12F9NO4S/c1-3-20(5-6(21)24-4-2)25(22,23)10(18,19)8(13,14)7(11,12)9(15,16)17/h3-5H2,1-2H3
InChIKey
FUWUVCJRFPBKEF-UHFFFAOYSA-N
Compound name
ethyl 2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

413.03433 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.04161 174.9
[M+Na]+ 436.02355 181.5
[M-H]- 412.02705 174.7
[M+NH4]+ 431.06815 180.3
[M+K]+ 451.99749 180.0
[M+H-H2O]+ 396.03159 162.6
[M+HCOO]- 458.03253 186.8
[M+CH3COO]- 472.04818 223.0
[M+Na-2H]- 434.00900 176.8
[M]+ 413.03378 170.8
[M]- 413.03488 170.8
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

No patent data available for this compound.