CID 58878017

862081-47-8

Structural Information

Molecular Formula
C15H18BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=O)N(C3=O)C
InChI
InChI=1S/C15H18BNO4/c1-14(2)15(3,4)21-16(20-14)9-6-7-10-11(8-9)13(19)17(5)12(10)18/h6-8H,1-5H3
InChIKey
WUPJVNRWPHBSCL-UHFFFAOYSA-N
Compound name
2-methyl-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

5
Patents

287.13287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14015 157.5
[M+Na]+ 310.12209 169.5
[M-H]- 286.12559 166.6
[M+NH4]+ 305.16669 178.9
[M+K]+ 326.09603 168.6
[M+H-H2O]+ 270.13013 154.0
[M+HCOO]- 332.13107 176.4
[M+CH3COO]- 346.14672 202.2
[M+Na-2H]- 308.10754 160.4
[M]+ 287.13232 162.8
[M]- 287.13342 162.8
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