CID 268877

6-bromo-1,2,3,4-tetrahydrocarbazole

Structural Information

Molecular Formula
C12H12BrN
SMILES
C1CCC2=C(C1)C3=C(N2)C=CC(=C3)Br
InChI
InChI=1S/C12H12BrN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,14H,1-4H2
InChIKey
SGYJGCFMAGWFCF-UHFFFAOYSA-N
Compound name
6-bromo-2,3,4,9-tetrahydro-1H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

249.0153 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.02258 150.2
[M+Na]+ 272.00452 162.5
[M-H]- 248.00802 155.8
[M+NH4]+ 267.04912 173.2
[M+K]+ 287.97846 149.9
[M+H-H2O]+ 232.01256 150.7
[M+HCOO]- 294.01350 167.9
[M+CH3COO]- 308.02915 164.6
[M+Na-2H]- 269.98997 157.8
[M]+ 249.01475 166.3
[M]- 249.01585 166.3
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