CID 50144

68334-67-8

Structural Information

Molecular Formula
C7H7Cl5O
SMILES
CC(C)OC(=C(C(=C(Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C7H7Cl5O/c1-3(2)13-7(12)5(9)4(8)6(10)11/h3H,1-2H3
InChIKey
NPPXYBKPTKBFMG-UHFFFAOYSA-N
Compound name
1,1,2,3,4-pentachloro-4-propan-2-yloxybuta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

281.89395 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.901226 150.6
[M+Na]+ 304.883168 156.7
[M-H]- 280.886674 146.4
[M+NH4]+ 299.927773 166.0
[M+K]+ 320.857108 151.9
[M+H-H2O]+ 264.891210 150.3
[M+HCOO]- 326.892151 144.8
[M+CH3COO]- 340.907801 200.0
[M+Na-2H]- 302.868616 146.9
[M]+ 281.89340142 149.2
[M]- 281.89449858 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.