CID 171761

Einecs 266-185-7

Structural Information

Molecular Formula
C8H15ClO4
SMILES
CCOC(=O)CC(CCl)(O)OCC
InChI
InChI=1S/C8H15ClO4/c1-3-12-7(10)5-8(11,6-9)13-4-2/h11H,3-6H2,1-2H3
InChIKey
CLVMHINWWKGYEN-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-3-ethoxy-3-hydroxybutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.06589 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07317 143.6
[M+Na]+ 233.05511 150.9
[M-H]- 209.05861 142.6
[M+NH4]+ 228.09971 162.9
[M+K]+ 249.02905 149.2
[M+H-H2O]+ 193.06315 140.3
[M+HCOO]- 255.06409 159.6
[M+CH3COO]- 269.07974 181.9
[M+Na-2H]- 231.04056 148.5
[M]+ 210.06534 149.6
[M]- 210.06644 149.6
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.