CID 92617

56984-96-4

Structural Information

Molecular Formula
C10H7Cl5
SMILES
C=C(CC(Cl)(Cl)Cl)C1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C10H7Cl5/c1-6(5-10(13,14)15)7-2-8(11)4-9(12)3-7/h2-4H,1,5H2
InChIKey
DVRCZTBVGVKPFB-UHFFFAOYSA-N
Compound name
1,3-dichloro-5-(4,4,4-trichlorobut-1-en-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
Patents

301.89905 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.906326 161.1
[M+Na]+ 324.888268 169.6
[M-H]- 300.891774 159.5
[M+NH4]+ 319.932873 176.2
[M+K]+ 340.862208 163.2
[M+H-H2O]+ 284.896310 158.7
[M+HCOO]- 346.897251 156.6
[M+CH3COO]- 360.912901 202.5
[M+Na-2H]- 322.873716 160.9
[M]+ 301.89850142 160.3
[M]- 301.89959858 160.3
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

patents stripe