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

39
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

No literature data available for this compound.

Patent stripe

patents stripe