CID 5200652

23927-40-4

Structural Information

Molecular Formula
C16H14Br2
SMILES
C1CC2=C(C=C(CCC3=C(C=C1C=C3)Br)C=C2)Br
InChI
InChI=1S/C16H14Br2/c17-15-9-11-1-5-13(15)8-4-12-2-6-14(7-3-11)16(18)10-12/h1-2,5-6,9-10H,3-4,7-8H2
InChIKey
QDMAXRJHDMKTQH-UHFFFAOYSA-N
Compound name
5,11-dibromotricyclo[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

81
Patents

363.94623 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.953506 160.5
[M+Na]+ 386.935448 164.0
[M-H]- 362.938954 150.6
[M+NH4]+ 381.980053 174.5
[M+K]+ 402.909388 156.8
[M+H-H2O]+ 346.943490 174.5
[M+HCOO]- 408.944431 162.1
[M+CH3COO]- 422.960081 166.5
[M+Na-2H]- 384.920896 169.2
[M]+ 363.94568142 187.0
[M]- 363.94677858 187.0
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