CID 71776101

Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene, tetrachloro-

Structural Information

Molecular Formula
C16H12Cl4
SMILES
C1CC2=C(C(=C(CCC3=C(C(=C1C=C3)Cl)Cl)C=C2)Cl)Cl
InChI
InChI=1S/C16H12Cl4/c17-13-9-1-2-10(14(13)18)7-8-12-4-3-11(6-5-9)15(19)16(12)20/h1-4H,5-8H2
InChIKey
QYFSCKPZVYAASR-UHFFFAOYSA-N
Compound name
5,6,11,12-tetrachlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.9693 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.97658 190.0
[M+Na]+ 366.95852 194.5
[M-H]- 342.96202 171.8
[M+NH4]+ 362.00312 202.4
[M+K]+ 382.93246 192.8
[M+H-H2O]+ 326.96656 195.9
[M+HCOO]- 388.96750 178.0
[M+CH3COO]- 402.98315 191.7
[M+Na-2H]- 364.94397 193.3
[M]+ 343.96875 190.8
[M]- 343.96985 190.8
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.