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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.040856 122.6
[M+Na]+ 159.022798 130.6
[M-H]- 135.026304 120.6
[M+NH4]+ 154.067403 144.4
[M+K]+ 174.996738 130.5
[M+H-H2O]+ 119.030840 116.6
[M+HCOO]- 181.031781 143.6
[M+CH3COO]- 195.047431 172.1
[M+Na-2H]- 157.008246 126.7
[M]+ 136.03303142 121.1
[M]- 136.03412858 121.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe