CID 14587

5-chloro-10,11-dihydro-5h-dibenzo[a,d]cycloheptene

Structural Information

Molecular Formula
C15H13Cl
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)Cl
InChI
InChI=1S/C15H13Cl/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H2
InChIKey
QPERNSDCEUTOTE-UHFFFAOYSA-N
Compound name
2-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

225
Patents

228.07057 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.07785 146.0
[M+Na]+ 251.05979 155.1
[M-H]- 227.06329 152.3
[M+NH4]+ 246.10439 166.4
[M+K]+ 267.03373 152.6
[M+H-H2O]+ 211.06783 142.2
[M+HCOO]- 273.06877 162.3
[M+CH3COO]- 287.08442 158.9
[M+Na-2H]- 249.04524 154.2
[M]+ 228.07002 144.1
[M]- 228.07112 144.1
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