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
2
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]+ 282.90123 150.6
[M+Na]+ 304.88317 156.7
[M-H]- 280.88667 146.4
[M+NH4]+ 299.92777 166.0
[M+K]+ 320.85711 151.9
[M+H-H2O]+ 264.89121 150.3
[M+HCOO]- 326.89215 144.8
[M+CH3COO]- 340.90780 200.0
[M+Na-2H]- 302.86862 146.9
[M]+ 281.89340 149.2
[M]- 281.89450 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.