CID 285756

1-benzyl-5-bromo-1h-indole

Structural Information

Molecular Formula
C15H12BrN
SMILES
C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)Br
InChI
InChI=1S/C15H12BrN/c16-14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKey
AQXJFUYUNHLBGU-UHFFFAOYSA-N
Compound name
1-benzyl-5-bromoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

285.01532 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.02260 158.2
[M+Na]+ 308.00454 171.5
[M-H]- 284.00804 167.7
[M+NH4]+ 303.04914 179.4
[M+K]+ 323.97848 159.1
[M+H-H2O]+ 268.01258 157.6
[M+HCOO]- 330.01352 180.6
[M+CH3COO]- 344.02917 173.5
[M+Na-2H]- 305.98999 166.2
[M]+ 285.01477 178.5
[M]- 285.01587 178.5
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