CID 2804937

5-bromo-3-hydroxy-2-indolinone

Structural Information

Molecular Formula
C8H6BrNO2
SMILES
C1=CC2=C(C=C1Br)C(C(=O)N2)O
InChI
InChI=1S/C8H6BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)
InChIKey
MLPDUEVGLOZRJI-UHFFFAOYSA-N
Compound name
5-bromo-3-hydroxy-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

226.95819 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.96547 143.6
[M+Na]+ 249.94741 146.0
[M+NH4]+ 244.99201 148.0
[M+K]+ 265.92135 148.0
[M-H]- 225.95091 142.5
[M+Na-2H]- 247.93286 144.4
[M]+ 226.95764 142.2
[M]- 226.95874 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe