CID 106956

Einecs 267-672-7

Structural Information

Molecular Formula
C16H16Cl6O4
SMILES
CC(=C)C(=O)OCC1C(C(C(=C(C1(Cl)Cl)Cl)Cl)(Cl)Cl)COC(=O)C(=C)C
InChI
InChI=1S/C16H16Cl6O4/c1-7(2)13(23)25-5-9-10(6-26-14(24)8(3)4)16(21,22)12(18)11(17)15(9,19)20/h9-10H,1,3,5-6H2,2,4H3
InChIKey
BQDPDHGILAIJQO-UHFFFAOYSA-N
Compound name
[2,2,3,4,5,5-hexachloro-6-(2-methylprop-2-enoyloxymethyl)cyclohex-3-en-1-yl]methyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.91797 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.92525 180.9
[M+Na]+ 504.90719 187.7
[M-H]- 480.91069 178.4
[M+NH4]+ 499.95179 192.7
[M+K]+ 520.88113 183.6
[M+H-H2O]+ 464.91523 182.6
[M+HCOO]- 526.91617 169.4
[M+CH3COO]- 540.93182 231.4
[M+Na-2H]- 502.89264 174.6
[M]+ 481.91742 181.4
[M]- 481.91852 181.4
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.