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 135.5
[M+Na]+ 234.03516 141.3
[M-H]- 210.03866 134.3
[M+NH4]+ 229.07976 150.5
[M+K]+ 250.00910 135.8
[M+H-H2O]+ 194.04320 134.9
[M+HCOO]- 256.04414 154.6
[M+CH3COO]- 270.05979 170.1
[M+Na-2H]- 232.02061 140.3
[M]+ 211.04539 131.5
[M]- 211.04649 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

No literature data available for this compound.

Patent stripe

patents stripe