CID 105447

67584-55-8

Structural Information

Molecular Formula
C10H10F9NO4S
SMILES
CN(CCOC(=O)C=C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H10F9NO4S/c1-3-6(21)24-5-4-20(2)25(22,23)10(18,19)8(13,14)7(11,12)9(15,16)17/h3H,1,4-5H2,2H3
InChIKey
KEMCLRGAIUJRAN-UHFFFAOYSA-N
Compound name
2-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

96
Patents

411.01868 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.02596 198.2
[M+Na]+ 434.00790 197.3
[M+NH4]+ 429.05250 196.3
[M+K]+ 449.98184 195.0
[M-H]- 410.01140 189.0
[M+Na-2H]- 431.99335 193.7
[M]+ 411.01813 195.2
[M]- 411.01923 195.2
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