CID 109857

Einecs 269-395-7

Structural Information

Molecular Formula
C13H14F11NO4S
SMILES
CN(CCCCOC(=O)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/c1-3-8(26)29-7-5-4-6-25(2)30(27,28)13(23,24)11(18,19)9(14,15)10(16,17)12(20,21)22/h3H,1,4-7H2,2H3
InChIKey
IGHHYZVIDWXKMF-UHFFFAOYSA-N
Compound name
4-[methyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]butyl prop-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 180.9
[M+Na]+ 512.03600 188.8
[M-H]- 488.03950 188.0
[M+NH4]+ 507.08060 193.3
[M+K]+ 528.00994 192.8
[M+H-H2O]+ 472.04404 174.0
[M+HCOO]- 534.04498 198.0
[M+CH3COO]- 548.06063 236.0
[M+Na-2H]- 510.02145 177.7
[M]+ 489.04623 181.8
[M]- 489.04733 181.8
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.