CID 2763205

1h-indol-6-ylboronic acid

Structural Information

Molecular Formula
C8H8BNO2
SMILES
B(C1=CC2=C(C=C1)C=CN2)(O)O
InChI
InChI=1S/C8H8BNO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10-12H
InChIKey
ZVMHOIWRCCZGPZ-UHFFFAOYSA-N
Compound name
1H-indol-6-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

966
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

literature stripe

Patent stripe

patents stripe