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

18
Patents

301.89905 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.90633 161.1
[M+Na]+ 324.88827 169.6
[M-H]- 300.89177 159.5
[M+NH4]+ 319.93287 176.2
[M+K]+ 340.86221 163.2
[M+H-H2O]+ 284.89631 158.7
[M+HCOO]- 346.89725 156.6
[M+CH3COO]- 360.91290 202.5
[M+Na-2H]- 322.87372 160.9
[M]+ 301.89850 160.3
[M]- 301.89960 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