CID 89976397

2169795-24-6

Structural Information

Molecular Formula

C₅H₆F₂O₂

SMILES

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

InChI

InChI=1S/C5H6F2O2/c1-3(5(6)7)2-4(8)9/h2,5H,1H3,(H,8,9)/b3-2+

InChIKey

YNBKDAZJXBTDFV-NSCUHMNNSA-N

Compound name

(E)-4,4-difluoro-3-methylbut-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 136.03358 Da
Monoisotopic Mass: 1.5
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]+	137.04086	128.9
[M+Na]+	159.02280	136.2
[M+NH4]+	154.06740	134.2
[M+K]+	174.99674	133.0
[M-H]-	135.02630	123.8
[M+Na-2H]-	157.00825	129.7
[M]+	136.03303	127.9
[M]-	136.03413	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.