CID 131676920

2121513-62-8

Structural Information

Molecular Formula
C7H7BO4
SMILES
B(C1=C(C=CC(=C1)C=O)O)(O)O
InChI
InChI=1S/C7H7BO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10-12H
InChIKey
UZWDXMNHBAFRLN-UHFFFAOYSA-N
Compound name
(5-formyl-2-hydroxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.04373 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05101 129.6
[M+Na]+ 189.03295 137.9
[M-H]- 165.03645 129.9
[M+NH4]+ 184.07755 148.4
[M+K]+ 205.00689 135.7
[M+H-H2O]+ 149.04099 124.8
[M+HCOO]- 211.04193 150.1
[M+CH3COO]- 225.05758 170.6
[M+Na-2H]- 187.01840 134.4
[M]+ 166.04318 128.7
[M]- 166.04428 128.7
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.