CID 65335240

2-bromo-5h,6h,7h,8h,9h,10h,11h-cycloocta[b]indole

Structural Information

Molecular Formula
C14H16BrN
SMILES
C1CCCC2=C(CC1)C3=C(N2)C=CC(=C3)Br
InChI
InChI=1S/C14H16BrN/c15-10-7-8-14-12(9-10)11-5-3-1-2-4-6-13(11)16-14/h7-9,16H,1-6H2
InChIKey
RUKJUCNUNAMZLR-UHFFFAOYSA-N
Compound name
2-bromo-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0466 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.05388 161.7
[M+Na]+ 300.03582 168.2
[M-H]- 276.03932 164.2
[M+NH4]+ 295.08042 171.4
[M+K]+ 316.00976 163.5
[M+H-H2O]+ 260.04386 160.6
[M+HCOO]- 322.04480 168.9
[M+CH3COO]- 336.06045 166.8
[M+Na-2H]- 298.02127 162.0
[M]+ 277.04605 168.1
[M]- 277.04715 168.1
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.