CID 3488065

2-(2h-1,3,2-benzodioxaborol-2-yl)-2h-1,3,2-benzodioxaborole

Structural Information

Molecular Formula
C12H8B2O4
SMILES
B1(OC2=CC=CC=C2O1)B3OC4=CC=CC=C4O3
InChI
InChI=1S/C12H8B2O4/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14/h1-8H
InChIKey
WYBQOWXCLDXZNR-UHFFFAOYSA-N
Compound name
2-(1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

553
Patents

238.06087 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06815 143.4
[M+Na]+ 261.05009 153.1
[M-H]- 237.05359 155.0
[M+NH4]+ 256.09469 161.3
[M+K]+ 277.02403 154.8
[M+H-H2O]+ 221.05813 139.8
[M+HCOO]- 283.05907 163.3
[M+CH3COO]- 297.07472 158.3
[M+Na-2H]- 259.03554 151.4
[M]+ 238.06032 147.9
[M]- 238.06142 147.9
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