CID 84071682

5-bromo-1h-indol-6-ol

Structural Information

Molecular Formula
C8H6BrNO
SMILES
C1=CNC2=CC(=C(C=C21)Br)O
InChI
InChI=1S/C8H6BrNO/c9-6-3-5-1-2-10-7(5)4-8(6)11/h1-4,10-11H
InChIKey
CBNZYDSOYCVKPW-UHFFFAOYSA-N
Compound name
5-bromo-1H-indol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.96329 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.970566 135.7
[M+Na]+ 233.952508 149.8
[M-H]- 209.956014 140.1
[M+NH4]+ 228.997113 158.7
[M+K]+ 249.926448 137.6
[M+H-H2O]+ 193.960550 136.7
[M+HCOO]- 255.961491 156.3
[M+CH3COO]- 269.977141 151.5
[M+Na-2H]- 231.937956 144.4
[M]+ 210.96274142 153.9
[M]- 210.96383858 153.9
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

patents stripe