CID 11065727

Dichloro-[2,2]-paracyclophane

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

224
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 150.0
[M+Na]+ 299.03646 164.4
[M+NH4]+ 294.08106 160.4
[M+K]+ 315.01040 153.2
[M-H]- 275.03996 147.3
[M+Na-2H]- 297.02191 147.4
[M]+ 276.04669 151.6
[M]- 276.04779 151.6
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