CID 3034295

17329-79-2

Structural Information

Molecular Formula
C11H12F9NO4S
SMILES
CCN(CCOC(=O)C=C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H12F9NO4S/c1-3-7(22)25-6-5-21(4-2)26(23,24)11(19,20)9(14,15)8(12,13)10(16,17)18/h3H,1,4-6H2,2H3
InChIKey
DULAHVOOPMNHFB-UHFFFAOYSA-N
Compound name
2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5
Patents

425.03433 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.04161 178.0
[M+Na]+ 448.02355 180.3
[M-H]- 424.02705 177.2
[M+NH4]+ 443.06815 182.8
[M+K]+ 463.99749 182.2
[M+H-H2O]+ 408.03159 165.7
[M+HCOO]- 470.03253 189.3
[M+CH3COO]- 484.04818 224.8
[M+Na-2H]- 446.00900 179.6
[M]+ 425.03378 172.8
[M]- 425.03488 172.8
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

patents stripe