CID 14587

1210-33-9

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 145.6
[M+Na]+ 251.05979 160.5
[M+NH4]+ 246.10439 156.5
[M+K]+ 267.03373 152.0
[M-H]- 227.06329 150.5
[M+Na-2H]- 249.04524 154.2
[M]+ 228.07002 149.8
[M]- 228.07112 149.8
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