CID 130063685

6-bromo-4-fluoro-2-methyl-1h-indole

Structural Information

Molecular Formula
C9H7BrFN
SMILES
CC1=CC2=C(N1)C=C(C=C2F)Br
InChI
InChI=1S/C9H7BrFN/c1-5-2-7-8(11)3-6(10)4-9(7)12-5/h2-4,12H,1H3
InChIKey
UEHNFZXIFKIMEY-UHFFFAOYSA-N
Compound name
6-bromo-4-fluoro-2-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 144.4
[M+Na]+ 249.96382 148.7
[M+NH4]+ 245.00842 149.6
[M+K]+ 265.93776 148.9
[M-H]- 225.96732 143.8
[M+Na-2H]- 247.94927 147.2
[M]+ 226.97405 143.6
[M]- 226.97515 143.6
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