CID 109961

68298-06-6

Structural Information

Molecular Formula
C12H12F11NO4S
SMILES
CCN(CCOC(=O)C=C)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H12F11NO4S/c1-3-7(25)28-6-5-24(4-2)29(26,27)12(22,23)10(17,18)8(13,14)9(15,16)11(19,20)21/h3H,1,4-6H2,2H3
InChIKey
ZCIQIKYETQVARM-UHFFFAOYSA-N
Compound name
2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

475.03113 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.03841 177.1
[M+Na]+ 498.02035 185.1
[M-H]- 474.02385 184.5
[M+NH4]+ 493.06495 189.5
[M+K]+ 513.99429 188.7
[M+H-H2O]+ 458.02839 170.3
[M+HCOO]- 520.02933 194.6
[M+CH3COO]- 534.04498 233.3
[M+Na-2H]- 496.00580 174.3
[M]+ 475.03058 178.0
[M]- 475.03168 178.0
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.