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]+ 197.098376 141.3
[M+Na]+ 219.080318 147.9
[M-H]- 195.083824 137.4
[M+NH4]+ 214.124923 160.1
[M+K]+ 235.054258 147.1
[M+H-H2O]+ 179.088360 135.2
[M+HCOO]- 241.089301 159.3
[M+CH3COO]- 255.104951 181.5
[M+Na-2H]- 217.065766 145.2
[M]+ 196.09055142 141.5
[M]- 196.09164858 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.