CID 100948

59071-10-2

Structural Information

Molecular Formula

C₁₄H₁₂F₁₅NO₄S

SMILES

CCN(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/C14H12F15NO4S/c1-3-7(31)34-6-5-30(4-2)35(32,33)14(28,29)12(23,24)10(19,20)8(15,16)9(17,18)11(21,22)13(25,26)27/h3H,1,4-6H2,2H3

InChIKey

IIEYFHNUKYSWAV-UHFFFAOYSA-N

Compound name

2-[ethyl(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: 7
Patents: 575.0248 Da
Monoisotopic Mass: 5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	576.032076	190.1
[M+Na]+	598.014018	196.6
[M-H]-	574.017524	200.5
[M+NH4]+	593.058623	204.5
[M+K]+	613.987958	204.8
[M+H-H2O]+	558.022060	180.4
[M+HCOO]-	620.023001	206.9
[M+CH3COO]-	634.038651	248.9
[M+Na-2H]-	595.999466	187.6
[M]+	575.02425142	190.8
[M]-	575.02534858	190.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe