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]+ 211.97057 135.7
[M+Na]+ 233.95251 149.8
[M-H]- 209.95601 140.1
[M+NH4]+ 228.99711 158.7
[M+K]+ 249.92645 137.6
[M+H-H2O]+ 193.96055 136.7
[M+HCOO]- 255.96149 156.3
[M+CH3COO]- 269.97714 151.5
[M+Na-2H]- 231.93796 144.4
[M]+ 210.96274 153.9
[M]- 210.96384 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