CID 4422180

55089-37-7

Structural Information

Molecular Formula
C16H10Cl4
SMILES
C1=CC=C2C3C(C(C(C2=C1)C4=CC(=C(C=C34)Cl)Cl)Cl)Cl
InChI
InChI=1S/C16H10Cl4/c17-11-5-9-10(6-12(11)18)14-8-4-2-1-3-7(8)13(9)15(19)16(14)20/h1-6,13-16H
InChIKey
KYLQWFSTZRRSAO-UHFFFAOYSA-N
Compound name
4,5,15,16-tetrachlorotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.95367 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.96095 172.1
[M+Na]+ 364.94289 182.0
[M-H]- 340.94639 171.5
[M+NH4]+ 359.98749 191.6
[M+K]+ 380.91683 175.1
[M+H-H2O]+ 324.95093 168.0
[M+HCOO]- 386.95187 166.7
[M+CH3COO]- 400.96752 180.7
[M+Na-2H]- 362.92834 176.7
[M]+ 341.95312 177.0
[M]- 341.95422 177.0
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.