CID 71758402

6-bromo-2-oxo-2,3-dihydro-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C9H6BrNO2
SMILES
C1=CC2=C(C=C1Br)NC(=O)C2C=O
InChI
InChI=1S/C9H6BrNO2/c10-5-1-2-6-7(4-12)9(13)11-8(6)3-5/h1-4,7H,(H,11,13)
InChIKey
KOINVBRHPOLJCG-UHFFFAOYSA-N
Compound name
6-bromo-2-oxo-1,3-dihydroindole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.95819 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.96547 146.2
[M+Na]+ 261.94741 149.0
[M+NH4]+ 256.99201 150.6
[M+K]+ 277.92135 150.4
[M-H]- 237.95091 145.4
[M+Na-2H]- 259.93286 147.2
[M]+ 238.95764 144.9
[M]- 238.95874 144.9
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

No patent data available for this compound.