CID 23116759

(z)-3,4,4,4-tetrafluoro-2-butenoic acid

Structural Information

Molecular Formula

C₄H₂F₄O₂

SMILES

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

InChI

InChI=1S/C4H2F4O2/c5-2(1-3(9)10)4(6,7)8/h1H,(H,9,10)/b2-1-

InChIKey

WKAYWQKZZYEPTI-UPHRSURJSA-N

Compound name

(Z)-3,4,4,4-tetrafluorobut-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 157.99908 Da
Monoisotopic Mass: 1.0
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]+	159.00636	139.3
[M+Na]+	180.98830	144.4
[M+NH4]+	176.03290	142.5
[M+K]+	196.96224	141.7
[M-H]-	156.99180	131.4
[M+Na-2H]-	178.97375	138.7
[M]+	157.99853	137.1
[M]-	157.99963	137.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.