CID 2734371

94839-07-3

Structural Information

Molecular Formula
C7H7BO4
SMILES
B(C1=CC2=C(C=C1)OCO2)(O)O
InChI
InChI=1S/C7H7BO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3,9-10H,4H2
InChIKey
CMHPUBKZZPSUIQ-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-5-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3262
Patents

166.04373 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05101 129.3
[M+Na]+ 189.03295 140.4
[M+NH4]+ 184.07755 137.4
[M+K]+ 205.00689 139.0
[M-H]- 165.03645 132.2
[M+Na-2H]- 187.01840 132.6
[M]+ 166.04318 131.5
[M]- 166.04428 131.5
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