CID 13722798

Ethyl 3,3-difluoroprop-2-enoate

Structural Information

Molecular Formula

C₅H₆F₂O₂

SMILES

CCOC(=O)C=C(F)F

InChI

InChI=1S/C5H6F2O2/c1-2-9-5(8)3-4(6)7/h3H,2H2,1H3

InChIKey

OVWPYWYSMMACBA-UHFFFAOYSA-N

Compound name

ethyl 3,3-difluoroprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 136.03358 Da
Monoisotopic Mass: 1.1
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	122.6
[M+Na]+	159.02280	130.6
[M-H]-	135.02630	120.6
[M+NH4]+	154.06740	144.4
[M+K]+	174.99674	130.5
[M+H-H2O]+	119.03084	116.6
[M+HCOO]-	181.03178	143.6
[M+CH3COO]-	195.04743	172.1
[M+Na-2H]-	157.00825	126.7
[M]+	136.03303	121.1
[M]-	136.03413	121.1

Literature stripe

literature stripe

Patent stripe

patents stripe