CID 117526

Benzeneboronic acid, m-carboxy-

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

166.04373 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05101 129.4
[M+Na]+ 189.03295 137.2
[M-H]- 165.03645 130.8
[M+NH4]+ 184.07755 148.6
[M+K]+ 205.00689 135.9
[M+H-H2O]+ 149.04099 124.2
[M+HCOO]- 211.04193 151.5
[M+CH3COO]- 225.05758 171.8
[M+Na-2H]- 187.01840 135.5
[M]+ 166.04318 130.0
[M]- 166.04428 130.0
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

patents stripe