CID 71306561

1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C16H18BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N3C(=O)C=CC3=O
InChI
InChI=1S/C16H18BNO4/c1-15(2)16(3,4)22-17(21-15)11-6-5-7-12(10-11)18-13(19)8-9-14(18)20/h5-10H,1-4H3
InChIKey
RXUHZBAAKKUFGL-UHFFFAOYSA-N
Compound name
1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.13287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14015 160.7
[M+Na]+ 322.12209 171.3
[M-H]- 298.12559 171.9
[M+NH4]+ 317.16669 180.0
[M+K]+ 338.09603 170.5
[M+H-H2O]+ 282.13013 155.9
[M+HCOO]- 344.13107 181.0
[M+CH3COO]- 358.14672 202.1
[M+Na-2H]- 320.10754 162.9
[M]+ 299.13232 164.6
[M]- 299.13342 164.6
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.