CID 106174

67939-33-7

Structural Information

Molecular Formula
C12H14F9NO4S
SMILES
CCN(CCOC(=O)C(=C)C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H14F9NO4S/c1-4-22(5-6-26-8(23)7(2)3)27(24,25)12(20,21)10(15,16)9(13,14)11(17,18)19/h2,4-6H2,1,3H3
InChIKey
DSOQNQBWSKFGJG-UHFFFAOYSA-N
Compound name
2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

439.05 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.05728 176.8
[M+Na]+ 462.03922 185.8
[M-H]- 438.04272 183.6
[M+NH4]+ 457.08382 189.4
[M+K]+ 478.01316 187.9
[M+H-H2O]+ 422.04726 168.2
[M+HCOO]- 484.04820 191.9
[M+CH3COO]- 498.06385 228.3
[M+Na-2H]- 460.02467 180.8
[M]+ 439.04945 178.0
[M]- 439.05055 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

patents stripe