CID 46739833

1217500-61-2

Structural Information

Molecular Formula
C8H8BNO3
SMILES
B(C1=CC2=C(CC(=O)N2)C=C1)(O)O
InChI
InChI=1S/C8H8BNO3/c11-8-3-5-1-2-6(9(12)13)4-7(5)10-8/h1-2,4,12-13H,3H2,(H,10,11)
InChIKey
YLNQBQVYRMHRAQ-UHFFFAOYSA-N
Compound name
(2-oxo-1,3-dihydroindol-6-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

177.05972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06700 135.0
[M+Na]+ 200.04894 145.1
[M+NH4]+ 195.09354 142.2
[M+K]+ 216.02288 143.0
[M-H]- 176.05244 134.1
[M+Na-2H]- 198.03439 137.9
[M]+ 177.05917 135.8
[M]- 177.06027 135.8
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