CID 58792277

2-bromo-6,7-dihydro-1h-indol-4(5h)-one

Structural Information

Molecular Formula
C8H8BrNO
SMILES
C1CC2=C(C=C(N2)Br)C(=O)C1
InChI
InChI=1S/C8H8BrNO/c9-8-4-5-6(10-8)2-1-3-7(5)11/h4,10H,1-3H2
InChIKey
TTYFVLXVNAATTA-UHFFFAOYSA-N
Compound name
2-bromo-1,5,6,7-tetrahydroindol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

212.97893 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.98621 141.5
[M+Na]+ 235.96815 143.7
[M+NH4]+ 231.01275 146.7
[M+K]+ 251.94209 145.0
[M-H]- 211.97165 141.1
[M+Na-2H]- 233.95360 142.7
[M]+ 212.97838 140.3
[M]- 212.97948 140.3
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