CID 53418437

5-bromo-6-methoxy-1h-indole

Structural Information

Molecular Formula
C9H8BrNO
SMILES
COC1=C(C=C2C=CNC2=C1)Br
InChI
InChI=1S/C9H8BrNO/c1-12-9-5-8-6(2-3-11-8)4-7(9)10/h2-5,11H,1H3
InChIKey
NWHWSVLYUXYJFU-UHFFFAOYSA-N
Compound name
5-bromo-6-methoxy-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
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

No literature data available for this compound.

Patent stripe

patents stripe