CID 109997

68298-60-2

Structural Information

Molecular Formula
C16H16F15NO4S
SMILES
CCCCN(CCOC(=O)C=C)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H16F15NO4S/c1-3-5-6-32(7-8-36-9(33)4-2)37(34,35)16(30,31)14(25,26)12(21,22)10(17,18)11(19,20)13(23,24)15(27,28)29/h4H,2-3,5-8H2,1H3
InChIKey
ZGQOMXKQOOGSHP-UHFFFAOYSA-N
Compound name
2-[butyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

603.056 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.06328 197.5
[M+Na]+ 626.04522 203.7
[M-H]- 602.04872 207.3
[M+NH4]+ 621.08982 211.8
[M+K]+ 642.01916 212.5
[M+H-H2O]+ 586.05326 187.6
[M+HCOO]- 648.05420 213.5
[M+CH3COO]- 662.06985 253.8
[M+Na-2H]- 624.03067 194.1
[M]+ 603.05545 198.1
[M]- 603.05655 198.1
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