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
3
Annotation Hits

0
References

100
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 173.5
[M+Na]+ 434.00790 180.4
[M-H]- 410.01140 173.7
[M+NH4]+ 429.05250 178.9
[M+K]+ 449.98184 178.3
[M+H-H2O]+ 394.01594 161.4
[M+HCOO]- 456.01688 185.8
[M+CH3COO]- 470.03253 222.0
[M+Na-2H]- 431.99335 175.5
[M]+ 411.01813 169.0
[M]- 411.01923 169.0
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

patents stripe