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

86
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

literature stripe

Patent stripe

patents stripe