CID 11687145

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

Structural Information

Molecular Formula
C8H5BrFN
SMILES
C1=CNC2=CC(=C(C=C21)Br)F
InChI
InChI=1S/C8H5BrFN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
InChIKey
HAKIMTKXOCVWRH-UHFFFAOYSA-N
Compound name
5-bromo-6-fluoro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

212.95894 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.966216 135.5
[M+Na]+ 235.948158 150.4
[M-H]- 211.951664 140.1
[M+NH4]+ 230.992763 159.3
[M+K]+ 251.922098 138.1
[M+H-H2O]+ 195.956200 135.7
[M+HCOO]- 257.957141 156.5
[M+CH3COO]- 271.972791 151.7
[M+Na-2H]- 233.933606 144.2
[M]+ 212.95839142 153.2
[M]- 212.95948858 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe