CID 46941888

4,4-difluoro-but-2-enoic acid

Structural Information

Molecular Formula

C₄H₄F₂O₂

SMILES

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

InChI

InChI=1S/C4H4F2O2/c5-3(6)1-2-4(7)8/h1-3H,(H,7,8)/b2-1+

InChIKey

IAXOWEBVJCVNQS-OWOJBTEDSA-N

Compound name

(E)-4,4-difluorobut-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 123
Patents: 122.01794 Da
Monoisotopic Mass: 0.9
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	124.3
[M+Na]+	145.00716	132.1
[M+NH4]+	140.05176	129.9
[M+K]+	160.98110	128.4
[M-H]-	121.01066	119.5
[M+Na-2H]-	142.99261	125.8
[M]+	122.01739	123.5
[M]-	122.01849	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe