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]+ 239.965466 142.6
[M+Na]+ 261.947408 156.1
[M-H]- 237.950914 147.9
[M+NH4]+ 256.992013 165.1
[M+K]+ 277.921348 144.2
[M+H-H2O]+ 221.955450 143.3
[M+HCOO]- 283.956391 162.1
[M+CH3COO]- 297.972041 185.2
[M+Na-2H]- 259.932856 148.9
[M]+ 238.95764142 160.5
[M]- 238.95873858 160.5
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.