CID 101567675

Dtxsid401026580

Structural Information

Molecular Formula

C₈H₃F₁₁O₂

SMILES

C(=C/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\C(=O)O

InChI

InChI=1S/C8H3F11O2/c9-4(10,2-1-3(20)21)5(11,12)6(13,14)7(15,16)8(17,18)19/h1-2H,(H,20,21)/b2-1+

InChIKey

UGMLUHQLUFIGNF-OWOJBTEDSA-N

Compound name

(E)-4,4,5,5,6,6,7,7,8,8,8-undecafluorooct-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 339.99573 Da
Monoisotopic Mass: 3.8
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]+	341.003006	159.2
[M+Na]+	362.984948	168.1
[M-H]-	338.988454	145.6
[M+NH4]+	358.029553	171.1
[M+K]+	378.958888	164.6
[M+H-H2O]+	322.992990	147.5
[M+HCOO]-	384.993931	161.4
[M+CH3COO]-	399.009581	206.5
[M+Na-2H]-	360.970396	161.9
[M]+	339.99518142	141.8
[M]-	339.99627858	141.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.