CID 4608651

6-bromo-tricyclo(9.2.2.1(4,8))hexadeca-1(14),4,6,8(16),11(15),12-hexaene

Structural Information

Molecular Formula
C16H15Br
SMILES
C1CC2=CC(=CC(=C2)Br)CCC3=CC=C1C=C3
InChI
InChI=1S/C16H15Br/c17-16-10-14-7-5-12-1-2-13(4-3-12)6-8-15(9-14)11-16/h1-4,9-11H,5-8H2
InChIKey
YIGKAUDQJLANAV-UHFFFAOYSA-N
Compound name
6-bromotricyclo[9.2.2.14,8]hexadeca-1(14),4(16),5,7,11(15),12-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0357 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.04298 167.3
[M+Na]+ 309.02492 174.1
[M-H]- 285.02842 160.0
[M+NH4]+ 304.06952 187.5
[M+K]+ 324.99886 166.1
[M+H-H2O]+ 269.03296 173.1
[M+HCOO]- 331.03390 175.4
[M+CH3COO]- 345.04955 176.1
[M+Na-2H]- 307.01037 178.6
[M]+ 286.03515 184.2
[M]- 286.03625 184.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.