CID 105453

67584-60-5

Structural Information

Molecular Formula
C12H12F11NO4S
SMILES
CC(=C)C(=O)OCCN(C)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H12F11NO4S/c1-6(2)7(25)28-5-4-24(3)29(26,27)12(22,23)10(17,18)8(13,14)9(15,16)11(19,20)21/h1,4-5H2,2-3H3
InChIKey
ADSKDYCFRLKFDJ-UHFFFAOYSA-N
Compound name
2-[methyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]ethyl 2-methylprop-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 178.8
[M+Na]+ 498.02035 187.2
[M-H]- 474.02385 187.6
[M+NH4]+ 493.06495 192.6
[M+K]+ 513.99429 191.4
[M+H-H2O]+ 458.02839 172.5
[M+HCOO]- 520.02933 194.1
[M+CH3COO]- 534.04498 234.0
[M+Na-2H]- 496.00580 176.5
[M]+ 475.03058 179.8
[M]- 475.03168 179.8
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.