CID 46835540

4-bromo-7-methoxy-1h-indole

Structural Information

Molecular Formula
C9H8BrNO
SMILES
COC1=C2C(=C(C=C1)Br)C=CN2
InChI
InChI=1S/C9H8BrNO/c1-12-8-3-2-7(10)6-4-5-11-9(6)8/h2-5,11H,1H3
InChIKey
WCEJDYPAEFIBCD-UHFFFAOYSA-N
Compound name
4-bromo-7-methoxy-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

224.97893 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.98621 142.1
[M+Na]+ 247.96815 146.5
[M+NH4]+ 243.01275 147.6
[M+K]+ 263.94209 147.2
[M-H]- 223.97165 142.4
[M+Na-2H]- 245.95360 145.5
[M]+ 224.97838 141.6
[M]- 224.97948 141.6
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

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