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 141.5
[M+Na]+ 263.94308 156.8
[M-H]- 239.94658 146.1
[M+NH4]+ 258.98768 164.2
[M+K]+ 279.91702 144.2
[M+H-H2O]+ 223.95112 141.4
[M+HCOO]- 285.95206 162.3
[M+CH3COO]- 299.96771 186.1
[M+Na-2H]- 261.92853 148.9
[M]+ 240.95331 160.4
[M]- 240.95441 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