CID 106120

Einecs 267-731-7

Structural Information

Molecular Formula
C13H14F11NO4S
SMILES
CCN(CCOC(=O)C(=C)C)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H14F11NO4S/c1-4-25(5-6-29-8(26)7(2)3)30(27,28)13(23,24)11(18,19)9(14,15)10(16,17)12(20,21)22/h2,4-6H2,1,3H3
InChIKey
WGAZHHCZKIWWFF-UHFFFAOYSA-N
Compound name
2-[ethyl(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

489.04678 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.05406 182.7
[M+Na]+ 512.03600 190.9
[M-H]- 488.03950 191.1
[M+NH4]+ 507.08060 196.4
[M+K]+ 528.00994 195.4
[M+H-H2O]+ 472.04404 176.2
[M+HCOO]- 534.04498 197.5
[M+CH3COO]- 548.06063 236.7
[M+Na-2H]- 510.02145 179.8
[M]+ 489.04623 183.6
[M]- 489.04733 183.6
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.