CID 18541710

214360-81-3

Structural Information

Molecular Formula
C15H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=O)CC3
InChI
InChI=1S/C15H19BO3/c1-14(2)15(3,4)19-16(18-14)11-6-7-12-10(9-11)5-8-13(12)17/h6-7,9H,5,8H2,1-4H3
InChIKey
CKYFZKMPRIVFKW-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

258.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.15001 154.7
[M+Na]+ 281.13195 166.5
[M+NH4]+ 276.17655 166.3
[M+K]+ 297.10589 161.0
[M-H]- 257.13545 160.5
[M+Na-2H]- 279.11740 160.9
[M]+ 258.14218 158.4
[M]- 258.14328 158.4
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