CID 170402

Einecs 255-013-6

Structural Information

Molecular Formula

C₇H₆F₉NO₂S

SMILES

C=CCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C7H6F9NO2S/c1-2-3-17-20(18,19)7(15,16)5(10,11)4(8,9)6(12,13)14/h2,17H,1,3H2

InChIKey

CZDUSUUDDSHUFI-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,4-nonafluoro-N-prop-2-enylbutane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 6
Patents: 338.99756 Da
Monoisotopic Mass: 3.2
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]+	340.004836	158.4
[M+Na]+	361.986778	166.5
[M-H]-	337.990284	147.6
[M+NH4]+	357.031383	171.0
[M+K]+	377.960718	162.7
[M+H-H2O]+	321.994820	146.7
[M+HCOO]-	383.995761	161.3
[M+CH3COO]-	398.011411	207.4
[M+Na-2H]-	359.972226	161.9
[M]+	338.99701142	146.8
[M]-	338.99810858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe