CID 3063819

Acetanilide, 2',5'-diborono-

Structural Information

Molecular Formula
C8H11B2NO5
SMILES
B(C1=CC(=C(C=C1)B(O)O)NC(=O)C)(O)O
InChI
InChI=1S/C8H11B2NO5/c1-5(12)11-8-4-6(9(13)14)2-3-7(8)10(15)16/h2-4,13-16H,1H3,(H,11,12)
InChIKey
XYGXYTKKXHFLLI-UHFFFAOYSA-N
Compound name
(2-acetamido-4-boronophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

223.08234 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08962 144.8
[M+Na]+ 246.07156 150.2
[M-H]- 222.07506 143.3
[M+NH4]+ 241.11616 159.9
[M+K]+ 262.04550 148.7
[M+H-H2O]+ 206.07960 139.2
[M+HCOO]- 268.08054 162.4
[M+CH3COO]- 282.09619 182.7
[M+Na-2H]- 244.05701 145.9
[M]+ 223.08179 141.9
[M]- 223.08289 141.9
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