CID 90267808

(e)-methyl 4,4-difluorobut-2-enoate

Structural Information

Molecular Formula

C₅H₆F₂O₂

SMILES

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

InChI

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

InChIKey

LVJVJKUDUWCYRO-NSCUHMNNSA-N

Compound name

methyl (E)-4,4-difluorobut-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 136.03358 Da
Monoisotopic Mass: 1.2
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	128.7
[M+Na]+	159.02280	136.8
[M+NH4]+	154.06740	134.4
[M+K]+	174.99674	132.6
[M-H]-	135.02630	124.3
[M+Na-2H]-	157.00825	130.4
[M]+	136.03303	128.1
[M]-	136.03413	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe