CID 312183

4-carboxyphenylboronic acid

Structural Information

Molecular Formula
C7H7BO4
SMILES
B(C1=CC=C(C=C1)C(=O)O)(O)O
InChI
InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
InChIKey
SIAVMDKGVRXFAX-UHFFFAOYSA-N
Compound name
4-boronobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

5027
Patents

166.04373 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05101 131.6
[M+Na]+ 189.03295 142.0
[M+NH4]+ 184.07755 138.1
[M+K]+ 205.00689 139.0
[M-H]- 165.03645 130.8
[M+Na-2H]- 187.01840 136.0
[M]+ 166.04318 132.5
[M]- 166.04428 132.5
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