CID 162085

Einecs 256-503-2

Structural Information

Molecular Formula
C14H14F13NO4S
SMILES
CN(CCOC(=O)C=C)S(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H14F13NO4S/c1-3-8(29)32-6-5-28(2)33(30,31)7-4-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h3H,1,4-7H2,2H3
InChIKey
HATNGDPVYXXGKR-UHFFFAOYSA-N
Compound name
2-[methyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)amino]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

33
Patents

539.0436 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.05088 187.1
[M+Na]+ 562.03282 194.2
[M-H]- 538.03632 195.8
[M+NH4]+ 557.07742 200.5
[M+K]+ 578.00676 200.5
[M+H-H2O]+ 522.04086 178.6
[M+HCOO]- 584.04180 203.9
[M+CH3COO]- 598.05745 244.0
[M+Na-2H]- 560.01827 184.0
[M]+ 539.04305 187.8
[M]- 539.04415 187.8
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

patents stripe