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

179
Patents

258.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.15001 153.8
[M+Na]+ 281.13195 164.0
[M-H]- 257.13545 163.6
[M+NH4]+ 276.17655 177.3
[M+K]+ 297.10589 163.0
[M+H-H2O]+ 241.13999 150.5
[M+HCOO]- 303.14093 173.7
[M+CH3COO]- 317.15658 195.6
[M+Na-2H]- 279.11740 157.7
[M]+ 258.14218 156.9
[M]- 258.14328 156.9
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