CID 2804937

5-bromo-3-hydroxy-2,3-dihydro-1h-indol-2-one

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

6
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 140.4
[M+Na]+ 249.94741 153.6
[M-H]- 225.95091 144.5
[M+NH4]+ 244.99201 162.7
[M+K]+ 265.92135 141.5
[M+H-H2O]+ 209.95545 141.3
[M+HCOO]- 271.95639 158.5
[M+CH3COO]- 285.97204 180.9
[M+Na-2H]- 247.93286 146.6
[M]+ 226.95764 156.9
[M]- 226.95874 156.9
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