CID 206655

P-benzenediboronic acid, 2-nitro-

Structural Information

Molecular Formula
C6H7B2NO6
SMILES
B(C1=CC(=C(C=C1)B(O)O)[N+](=O)[O-])(O)O
InChI
InChI=1S/C6H7B2NO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,10-13H
InChIKey
GGASDGRERPDUQP-UHFFFAOYSA-N
Compound name
(4-borono-2-nitrophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

211.04594 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05322 138.2
[M+Na]+ 234.03516 147.9
[M+NH4]+ 229.07976 143.4
[M+K]+ 250.00910 149.2
[M-H]- 210.03866 137.5
[M+Na-2H]- 232.02061 140.7
[M]+ 211.04539 138.8
[M]- 211.04649 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe