CID 2758828

Ethyl 2,2-difluoro-3-hydroxypropanoate

Structural Information

Molecular Formula
C5H8F2O3
SMILES
CCOC(=O)C(CO)(F)F
InChI
InChI=1S/C5H8F2O3/c1-2-10-4(9)5(6,7)3-8/h8H,2-3H2,1H3
InChIKey
HHDADYBESRVMSN-UHFFFAOYSA-N
Compound name
ethyl 2,2-difluoro-3-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

154.04414 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05142 127.2
[M+Na]+ 177.03336 135.0
[M-H]- 153.03686 123.8
[M+NH4]+ 172.07796 147.6
[M+K]+ 193.00730 134.9
[M+H-H2O]+ 137.04140 121.6
[M+HCOO]- 199.04234 146.1
[M+CH3COO]- 213.05799 172.4
[M+Na-2H]- 175.01881 132.6
[M]+ 154.04359 126.1
[M]- 154.04469 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe