CID 42614541

5-carboxy-2-methoxybenzeneboronic acid

Structural Information

Molecular Formula
C8H9BO5
SMILES
B(C1=C(C=CC(=C1)C(=O)O)OC)(O)O
InChI
InChI=1S/C8H9BO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4,12-13H,1H3,(H,10,11)
InChIKey
UENFRNNKQBQROW-UHFFFAOYSA-N
Compound name
3-borono-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

196.0543 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.06158 136.9
[M+Na]+ 219.04352 144.4
[M-H]- 195.04702 137.1
[M+NH4]+ 214.08812 154.3
[M+K]+ 235.01746 143.1
[M+H-H2O]+ 179.05156 131.7
[M+HCOO]- 241.05250 156.3
[M+CH3COO]- 255.06815 176.8
[M+Na-2H]- 217.02897 140.0
[M]+ 196.05375 137.2
[M]- 196.05485 137.2
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