CID 3056314

Benzeneboronic acid, m-(3,4-dichlorobenzamido)-

Structural Information

Molecular Formula
C13H10BCl2NO3
SMILES
B(C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)Cl)(O)O
InChI
InChI=1S/C13H10BCl2NO3/c15-11-5-4-8(6-12(11)16)13(18)17-10-3-1-2-9(7-10)14(19)20/h1-7,19-20H,(H,17,18)
InChIKey
ZHBUQXITRPQLEN-UHFFFAOYSA-N
Compound name
[3-[(3,4-dichlorobenzoyl)amino]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.0131 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.02038 161.5
[M+Na]+ 332.00232 170.1
[M-H]- 308.00582 165.6
[M+NH4]+ 327.04692 176.2
[M+K]+ 347.97626 163.8
[M+H-H2O]+ 292.01036 156.7
[M+HCOO]- 354.01130 173.5
[M+CH3COO]- 368.02695 199.7
[M+Na-2H]- 329.98777 163.8
[M]+ 309.01255 163.5
[M]- 309.01365 163.5
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

No patent data available for this compound.