CID 16062629

Ethyl 4,4-difluorobut-2-enoate

Structural Information

Molecular Formula

C₆H₈F₂O₂

SMILES

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

InChI

InChI=1S/C6H8F2O2/c1-2-10-6(9)4-3-5(7)8/h3-5H,2H2,1H3/b4-3+

InChIKey

WACKTOQGRVMXIO-ONEGZZNKSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 150.04924 Da
Monoisotopic Mass: 1.6
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]+	151.05652	127.4
[M+Na]+	173.03846	135.0
[M-H]-	149.04196	125.2
[M+NH4]+	168.08306	148.6
[M+K]+	189.01240	134.6
[M+H-H2O]+	133.04650	121.2
[M+HCOO]-	195.04744	148.0
[M+CH3COO]-	209.06309	175.1
[M+Na-2H]-	171.02391	130.9
[M]+	150.04869	126.3
[M]-	150.04979	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe