CID 11075135

5-chloro-5h-dibenzo[a,d][7]annulene

Structural Information

Molecular Formula
C15H11Cl
SMILES
C1=CC=C2C(C3=CC=CC=C3C=CC2=C1)Cl
InChI
InChI=1S/C15H11Cl/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10,15H
InChIKey
XUDMFUCJNFYMRZ-UHFFFAOYSA-N
Compound name
2-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

226.05493 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06221 145.0
[M+Na]+ 249.04415 155.1
[M-H]- 225.04765 151.7
[M+NH4]+ 244.08875 165.6
[M+K]+ 265.01809 152.6
[M+H-H2O]+ 209.05219 141.3
[M+HCOO]- 271.05313 162.7
[M+CH3COO]- 285.06878 158.4
[M+Na-2H]- 247.02960 154.1
[M]+ 226.05438 144.5
[M]- 226.05548 144.5
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