CID 2733958

2-methoxyphenylboronic acid

Structural Information

Molecular Formula
C7H9BO3
SMILES
B(C1=CC=CC=C1OC)(O)O
InChI
InChI=1S/C7H9BO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3
InChIKey
ROEQGIFOWRQYHD-UHFFFAOYSA-N
Compound name
(2-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

9177
Patents

152.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.071746 127.9
[M+Na]+ 175.053688 135.6
[M-H]- 151.057194 129.3
[M+NH4]+ 170.098293 147.9
[M+K]+ 191.027628 134.3
[M+H-H2O]+ 135.061730 122.9
[M+HCOO]- 197.062671 149.6
[M+CH3COO]- 211.078321 170.5
[M+Na-2H]- 173.039136 134.0
[M]+ 152.06392142 127.8
[M]- 152.06501858 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