CID 12698018

Methyl 3,3-difluoroacrylate

Structural Information

Molecular Formula

C₄H₄F₂O₂

SMILES

COC(=O)C=C(F)F

InChI

InChI=1S/C4H4F2O2/c1-8-4(7)2-3(5)6/h2H,1H3

InChIKey

WBCCJQXKXZNHFB-UHFFFAOYSA-N

Compound name

methyl 3,3-difluoroprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 122.01794 Da
Monoisotopic Mass: 0.8
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]+	123.02522	124.3
[M+Na]+	145.00716	132.7
[M+NH4]+	140.05176	130.3
[M+K]+	160.98110	128.7
[M-H]-	121.01066	120.0
[M+Na-2H]-	142.99261	126.4
[M]+	122.01739	123.8
[M]-	122.01849	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe