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]+ 414.041606 174.9
[M+Na]+ 436.023548 181.5
[M-H]- 412.027054 174.7
[M+NH4]+ 431.068153 180.3
[M+K]+ 451.997488 180.0
[M+H-H2O]+ 396.031590 162.6
[M+HCOO]- 458.032531 186.8
[M+CH3COO]- 472.048181 223.0
[M+Na-2H]- 434.008996 176.8
[M]+ 413.03378142 170.8
[M]- 413.03487858 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.