CID 11065727

10366-05-9

Structural Information

Molecular Formula
C16H14Cl2
SMILES
C1CC2=CC(=C(CCC3=C(C=C1C=C3)Cl)C=C2)Cl
InChI
InChI=1S/C16H14Cl2/c17-15-9-11-1-2-12-4-6-14(16(18)10-12)8-7-13(15)5-3-11/h3-6,9-10H,1-2,7-8H2
InChIKey
KAWOYOQFRXSZQI-UHFFFAOYSA-N
Compound name
5,12-dichlorotricyclo[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

183
Patents

276.04724 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.05452 172.2
[M+Na]+ 299.03646 174.9
[M-H]- 275.03996 154.5
[M+NH4]+ 294.08106 186.6
[M+K]+ 315.01040 173.8
[M+H-H2O]+ 259.04450 177.0
[M+HCOO]- 321.04544 168.6
[M+CH3COO]- 335.06109 175.5
[M+Na-2H]- 297.02191 179.6
[M]+ 276.04669 172.6
[M]- 276.04779 172.6
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.