CID 130050127

6-bromo-5-fluoro-3-methyl-1h-indole

Structural Information

Molecular Formula
C9H7BrFN
SMILES
CC1=CNC2=CC(=C(C=C12)F)Br
InChI
InChI=1S/C9H7BrFN/c1-5-4-12-9-3-7(10)8(11)2-6(5)9/h2-4,12H,1H3
InChIKey
XCQPCVKUKYNDIN-UHFFFAOYSA-N
Compound name
6-bromo-5-fluoro-3-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

226.9746 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.981876 140.0
[M+Na]+ 249.963818 155.3
[M-H]- 225.967324 144.7
[M+NH4]+ 245.008423 163.5
[M+K]+ 265.937758 142.7
[M+H-H2O]+ 209.971860 140.1
[M+HCOO]- 271.972801 160.5
[M+CH3COO]- 285.988451 156.0
[M+Na-2H]- 247.949266 147.4
[M]+ 226.97405142 158.3
[M]- 226.97514858 158.3
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