CID 130054729

1182345-30-7

Structural Information

Molecular Formula
C9H7BO4
SMILES
B(C1=CC2=C(O1)C=CC(=C2)C=O)(O)O
InChI
InChI=1S/C9H7BO4/c11-5-6-1-2-8-7(3-6)4-9(14-8)10(12)13/h1-5,12-13H
InChIKey
AMSLZNVBBOCICQ-UHFFFAOYSA-N
Compound name
(5-formyl-1-benzofuran-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.04373 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05101 133.6
[M+Na]+ 213.03295 143.9
[M-H]- 189.03645 137.3
[M+NH4]+ 208.07755 153.8
[M+K]+ 229.00689 142.3
[M+H-H2O]+ 173.04099 129.1
[M+HCOO]- 235.04193 156.2
[M+CH3COO]- 249.05758 176.3
[M+Na-2H]- 211.01840 140.7
[M]+ 190.04318 137.0
[M]- 190.04428 137.0
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

No patent data available for this compound.