CID 21239151

Ethyl 2,2-difluoro-3-hydroxybutanoate

Structural Information

Molecular Formula
C6H10F2O3
SMILES
CCOC(=O)C(C(C)O)(F)F
InChI
InChI=1S/C6H10F2O3/c1-3-11-5(10)6(7,8)4(2)9/h4,9H,3H2,1-2H3
InChIKey
ONGVAFSENCMVGI-UHFFFAOYSA-N
Compound name
ethyl 2,2-difluoro-3-hydroxybutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

168.0598 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06708 131.6
[M+Na]+ 191.04902 138.8
[M-H]- 167.05252 128.2
[M+NH4]+ 186.09362 151.4
[M+K]+ 207.02296 139.0
[M+H-H2O]+ 151.05706 126.0
[M+HCOO]- 213.05800 149.3
[M+CH3COO]- 227.07365 176.3
[M+Na-2H]- 189.03447 135.3
[M]+ 168.05925 130.3
[M]- 168.06035 130.3
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