CID 24061

7476-82-6

Structural Information

Molecular Formula
C10H8Cl4O2
SMILES
CCCC(=O)OC1=C(C(=C(C=C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H8Cl4O2/c1-2-3-7(15)16-10-6(12)4-5(11)8(13)9(10)14/h4H,2-3H2,1H3
InChIKey
DZBDHMZJGXLTDK-UHFFFAOYSA-N
Compound name
(2,3,4,6-tetrachlorophenyl) butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.92783 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.93511 159.1
[M+Na]+ 322.91705 173.9
[M+NH4]+ 317.96165 167.1
[M+K]+ 338.89099 165.7
[M-H]- 298.92055 160.0
[M+Na-2H]- 320.90250 164.6
[M]+ 299.92728 162.6
[M]- 299.92838 162.6
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.