CID 4192659

2,3-methylenedioxyphenyl boronic acid

Structural Information

Molecular Formula
C7H7BO4
SMILES
B(C1=C2C(=CC=C1)OCO2)(O)O
InChI
InChI=1S/C7H7BO4/c9-8(10)5-2-1-3-6-7(5)12-4-11-6/h1-3,9-10H,4H2
InChIKey
BEIKNVAUEWMMAZ-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-4-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

166.04373 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05101 128.4
[M+Na]+ 189.03295 136.4
[M-H]- 165.03645 131.9
[M+NH4]+ 184.07755 147.8
[M+K]+ 205.00689 137.0
[M+H-H2O]+ 149.04099 124.1
[M+HCOO]- 211.04193 147.6
[M+CH3COO]- 225.05758 170.7
[M+Na-2H]- 187.01840 136.2
[M]+ 166.04318 129.2
[M]- 166.04428 129.2
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