CID 192216

4-carboxy-2-nitrophenylboronic acid

Structural Information

Molecular Formula
C7H6BNO6
SMILES
B(C1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])(O)O
InChI
InChI=1S/C7H6BNO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,12-13H,(H,10,11)
InChIKey
APBXPKJLXBBPQJ-UHFFFAOYSA-N
Compound name
4-borono-3-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

67
Patents

211.02882 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.03610 138.5
[M+Na]+ 234.01804 148.7
[M+NH4]+ 229.06264 143.7
[M+K]+ 249.99198 149.6
[M-H]- 210.02154 138.1
[M+Na-2H]- 232.00349 141.4
[M]+ 211.02827 139.2
[M]- 211.02937 139.2
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