CID 44119386

3-borono-2-methoxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

196.0543 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.06158 138.6
[M+Na]+ 219.04352 148.7
[M+NH4]+ 214.08812 144.4
[M+K]+ 235.01746 146.3
[M-H]- 195.04702 137.3
[M+Na-2H]- 217.02897 142.0
[M]+ 196.05375 139.3
[M]- 196.05485 139.3
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