CID 2763173

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

931
Patents

161.0648 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07208 130.2
[M+Na]+ 184.05402 142.3
[M+NH4]+ 179.09862 138.4
[M+K]+ 200.02796 139.1
[M-H]- 160.05752 130.4
[M+Na-2H]- 182.03947 135.7
[M]+ 161.06425 131.8
[M]- 161.06535 131.8
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