CID 2734370

3-methoxyphenylboronic acid

Structural Information

Molecular Formula
C7H9BO3
SMILES
B(C1=CC(=CC=C1)OC)(O)O
InChI
InChI=1S/C7H9BO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3
InChIKey
NLLGFYPSWCMUIV-UHFFFAOYSA-N
Compound name
(3-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9558
Patents

152.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07175 127.9
[M+Na]+ 175.05369 135.6
[M-H]- 151.05719 129.3
[M+NH4]+ 170.09829 147.9
[M+K]+ 191.02763 134.3
[M+H-H2O]+ 135.06173 122.9
[M+HCOO]- 197.06267 149.6
[M+CH3COO]- 211.07832 170.5
[M+Na-2H]- 173.03914 134.0
[M]+ 152.06392 127.8
[M]- 152.06502 127.8
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