CID 123241299

6-bromo-7-fluoro-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C9H5BrFNO
SMILES
C1=CC(=C(C2=C1C(=CN2)C=O)F)Br
InChI
InChI=1S/C9H5BrFNO/c10-7-2-1-6-5(4-13)3-12-9(6)8(7)11/h1-4,12H
InChIKey
ZNECZMOHHMKYNR-UHFFFAOYSA-N
Compound name
6-bromo-7-fluoro-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

240.95386 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.961136 141.5
[M+Na]+ 263.943078 156.8
[M-H]- 239.946584 146.1
[M+NH4]+ 258.987683 164.2
[M+K]+ 279.917018 144.2
[M+H-H2O]+ 223.951120 141.4
[M+HCOO]- 285.952061 162.3
[M+CH3COO]- 299.967711 186.1
[M+Na-2H]- 261.928526 148.9
[M]+ 240.95331142 160.4
[M]- 240.95440858 160.4
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