CID 59354641

1220423-08-4

Structural Information

Molecular Formula
C14H16BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=O)NC3=O
InChI
InChI=1S/C14H16BNO4/c1-13(2)14(3,4)20-15(19-13)8-5-6-9-10(7-8)12(18)16-11(9)17/h5-7H,1-4H3,(H,16,17,18)
InChIKey
BDKMGOGBSMEXJT-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

273.11725 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12453 155.4
[M+Na]+ 296.10647 166.5
[M-H]- 272.10997 162.9
[M+NH4]+ 291.15107 176.3
[M+K]+ 312.08041 164.9
[M+H-H2O]+ 256.11451 151.8
[M+HCOO]- 318.11545 173.1
[M+CH3COO]- 332.13110 195.6
[M+Na-2H]- 294.09192 158.7
[M]+ 273.11670 158.1
[M]- 273.11780 158.1
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