CID 2763173

1h-indole-4-boronic acid

Structural Information

Molecular Formula
C8H8BNO2
SMILES
B(C1=C2C=CNC2=CC=C1)(O)O
InChI
InChI=1S/C8H8BNO2/c11-9(12)7-2-1-3-8-6(7)4-5-10-8/h1-5,10-12H
InChIKey
USJUQEVUEBCLLR-UHFFFAOYSA-N
Compound name
1H-indol-4-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1160
Patents

161.0648 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.072076 129.4
[M+Na]+ 184.054018 138.6
[M-H]- 160.057524 129.4
[M+NH4]+ 179.098623 149.9
[M+K]+ 200.027958 134.7
[M+H-H2O]+ 144.062060 124.2
[M+HCOO]- 206.063001 149.8
[M+CH3COO]- 220.078651 142.7
[M+Na-2H]- 182.039466 136.2
[M]+ 161.06425142 127.9
[M]- 161.06534858 127.9
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