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 146.5
[M+Na]+ 246.07156 154.2
[M+NH4]+ 241.11616 151.1
[M+K]+ 262.04550 153.1
[M-H]- 222.07506 144.6
[M+Na-2H]- 244.05701 148.3
[M]+ 223.08179 146.4
[M]- 223.08289 146.4
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