CID 22908568

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

Structural Information

Molecular Formula
C16H14Cl2
SMILES
C1C(C2=CC=C(CC(C3=CC=C1C=C3)Cl)C=C2)Cl
InChI
InChI=1S/C16H14Cl2/c17-15-9-11-1-5-13(6-2-11)16(18)10-12-3-7-14(15)8-4-12/h1-8,15-16H,9-10H2
InChIKey
VRBFTYUMFJWSJY-UHFFFAOYSA-N
Compound name
2,8-dichlorotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

342
References

15369
Patents

276.04724 Da
Monoisotopic Mass

4.8
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

literature stripe

Patent stripe

patents stripe