CID 46937174

D-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid

Structural Information

Molecular Formula
C10H14BClNO4
SMILES
[B-]([C@@H](CC1=CC=C(C=C1)Cl)NC(=O)C)(O)(O)O
InChI
InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m1/s1
InChIKey
FPCXTDQHLFRWCJ-SNVBAGLBSA-N
Compound name
[(1S)-1-acetamido-2-(4-chlorophenyl)ethyl]-trihydroxyboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.07043 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07771 151.8
[M+Na]+ 281.05965 157.1
[M-H]- 257.06315 149.6
[M+NH4]+ 276.10425 166.4
[M+K]+ 297.03359 153.2
[M+H-H2O]+ 241.06769 149.9
[M+HCOO]- 303.06863 164.7
[M+CH3COO]- 317.08428 184.4
[M+Na-2H]- 279.04510 154.5
[M]+ 258.06988 149.2
[M]- 258.07098 149.2
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

No patent data available for this compound.