CID 4644503

1-allyl-2,3,4,5,6-pentachlorobenzene

Structural Information

Molecular Formula
C9H5Cl5
SMILES
C=CCC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C9H5Cl5/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h2H,1,3H2
InChIKey
FHXZESMKMJPSPX-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentachloro-6-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.8834 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.89068 161.2
[M+Na]+ 310.87262 176.5
[M+NH4]+ 305.91722 169.5
[M+K]+ 326.84656 166.9
[M-H]- 286.87612 162.4
[M+Na-2H]- 308.85807 166.7
[M]+ 287.88285 165.1
[M]- 287.88395 165.1
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.