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]+ 227.98188 140.0
[M+Na]+ 249.96382 155.3
[M-H]- 225.96732 144.7
[M+NH4]+ 245.00842 163.5
[M+K]+ 265.93776 142.7
[M+H-H2O]+ 209.97186 140.1
[M+HCOO]- 271.97280 160.5
[M+CH3COO]- 285.98845 156.0
[M+Na-2H]- 247.94927 147.4
[M]+ 226.97405 158.3
[M]- 226.97515 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