CID 4673422

Furan-2-ylmethyl 2,2-dichloroacetate

Structural Information

Molecular Formula
C7H6Cl2O3
SMILES
C1=COC(=C1)COC(=O)C(Cl)Cl
InChI
InChI=1S/C7H6Cl2O3/c8-6(9)7(10)12-4-5-2-1-3-11-5/h1-3,6H,4H2
InChIKey
VTNWTBBDOBPRLH-UHFFFAOYSA-N
Compound name
furan-2-ylmethyl 2,2-dichloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.9694 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.97668 137.5
[M+Na]+ 230.95862 149.4
[M+NH4]+ 226.00322 145.6
[M+K]+ 246.93256 145.9
[M-H]- 206.96212 138.9
[M+Na-2H]- 228.94407 142.3
[M]+ 207.96885 140.0
[M]- 207.96995 140.0
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.