CID 3056686

73825-88-4

Structural Information

Molecular Formula
C8H10Cl6O2
SMILES
CC(C)COC(=O)C(C(Cl)Cl)(C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C8H10Cl6O2/c1-4(2)3-16-6(15)7(11,5(9)10)8(12,13)14/h4-5H,3H2,1-2H3
InChIKey
VVWAMSPVVGJSJG-UHFFFAOYSA-N
Compound name
2-methylpropyl 2,3,3,3-tetrachloro-2-(dichloromethyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.8812 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.888476 169.3
[M+Na]+ 370.870418 174.4
[M-H]- 346.873924 163.7
[M+NH4]+ 365.915023 181.4
[M+K]+ 386.844358 170.9
[M+H-H2O]+ 330.878460 168.5
[M+HCOO]- 392.879401 157.1
[M+CH3COO]- 406.895051 210.2
[M+Na-2H]- 368.855866 166.4
[M]+ 347.88065142 167.2
[M]- 347.88174858 167.2
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.