CID 155943826

Ethyl 4,4-difluoro-6-hydroxyhexanoate

Structural Information

Molecular Formula
C8H14F2O3
SMILES
CCOC(=O)CCC(CCO)(F)F
InChI
InChI=1S/C8H14F2O3/c1-2-13-7(12)3-4-8(9,10)5-6-11/h11H,2-6H2,1H3
InChIKey
NZPQXDASZDLLGC-UHFFFAOYSA-N
Compound name
ethyl 4,4-difluoro-6-hydroxyhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0911 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09838 141.3
[M+Na]+ 219.08032 147.9
[M-H]- 195.08382 137.4
[M+NH4]+ 214.12492 160.1
[M+K]+ 235.05426 147.1
[M+H-H2O]+ 179.08836 135.2
[M+HCOO]- 241.08930 159.3
[M+CH3COO]- 255.10495 181.5
[M+Na-2H]- 217.06577 145.2
[M]+ 196.09055 141.5
[M]- 196.09165 141.5
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

No patent data available for this compound.