CID 3466190

11,12-dichloro-10,11-dihydro-5,10-methano-5h-dibenzo(a,d)cycloheptene

Structural Information

Molecular Formula
C16H12Cl2
SMILES
C1=CC=C2C3C(C(C2=C1)C(C4=CC=CC=C34)Cl)Cl
InChI
InChI=1S/C16H12Cl2/c17-15-12-8-4-3-7-11(12)13-9-5-1-2-6-10(9)14(15)16(13)18/h1-8,13-16H
InChIKey
UMSPATZKRSJLKZ-UHFFFAOYSA-N
Compound name
8,16-dichlorotetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.03162 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.03890 160.6
[M+Na]+ 297.02084 172.3
[M-H]- 273.02434 164.8
[M+NH4]+ 292.06544 184.0
[M+K]+ 312.99478 163.8
[M+H-H2O]+ 257.02888 155.9
[M+HCOO]- 319.02982 170.1
[M+CH3COO]- 333.04547 172.9
[M+Na-2H]- 295.00629 165.5
[M]+ 274.03107 163.7
[M]- 274.03217 163.7
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.