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]+ 241.96114 147.1
[M+Na]+ 263.94308 151.0
[M+NH4]+ 258.98768 151.5
[M+K]+ 279.91702 151.5
[M-H]- 239.94658 145.8
[M+Na-2H]- 261.92853 149.3
[M]+ 240.95331 146.0
[M]- 240.95441 146.0
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