CID 22125305

182344-24-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
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

literature stripe

Patent stripe

patents stripe