CID 20386164

2,2-difluorobut-3-enoic acid

Structural Information

Molecular Formula

C₄H₄F₂O₂

SMILES

C=CC(C(=O)O)(F)F

InChI

InChI=1S/C4H4F2O2/c1-2-4(5,6)3(7)8/h2H,1H2,(H,7,8)

InChIKey

ZUOBHRXEMDNEGE-UHFFFAOYSA-N

Compound name

2,2-difluorobut-3-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 122.01794 Da
Monoisotopic Mass: 1.3
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]+	123.02522	124.4
[M+Na]+	145.00716	132.2
[M+NH4]+	140.05176	129.9
[M+K]+	160.98110	128.9
[M-H]-	121.01066	119.1
[M+Na-2H]-	142.99261	126.0
[M]+	122.01739	123.5
[M]-	122.01849	123.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe