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

1116
Patents

161.0648 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07208 129.4
[M+Na]+ 184.05402 138.6
[M-H]- 160.05752 129.4
[M+NH4]+ 179.09862 149.9
[M+K]+ 200.02796 134.7
[M+H-H2O]+ 144.06206 124.2
[M+HCOO]- 206.06300 149.8
[M+CH3COO]- 220.07865 142.7
[M+Na-2H]- 182.03947 136.2
[M]+ 161.06425 127.9
[M]- 161.06535 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