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

174
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 139.5
[M+Na]+ 247.96815 153.7
[M-H]- 223.97165 145.1
[M+NH4]+ 243.01275 162.8
[M+K]+ 263.94209 142.2
[M+H-H2O]+ 207.97619 140.1
[M+HCOO]- 269.97713 161.2
[M+CH3COO]- 283.99278 155.6
[M+Na-2H]- 245.95360 148.2
[M]+ 224.97838 159.8
[M]- 224.97948 159.8
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