CID 167724691

En300-43378578

Structural Information

Molecular Formula
C17H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C(=O)CC(O3)(C)C
InChI
InChI=1S/C17H23BO4/c1-15(2)10-13(19)11-8-7-9-12(14(11)20-15)18-21-16(3,4)17(5,6)22-18/h7-9H,10H2,1-6H3
InChIKey
NODPHSFLJFZCFH-UHFFFAOYSA-N
Compound name
2,2-dimethyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17623 161.9
[M+Na]+ 325.15817 172.4
[M-H]- 301.16167 172.3
[M+NH4]+ 320.20277 182.7
[M+K]+ 341.13211 173.3
[M+H-H2O]+ 285.16621 157.9
[M+HCOO]- 347.16715 178.0
[M+CH3COO]- 361.18280 205.5
[M+Na-2H]- 323.14362 168.1
[M]+ 302.16840 166.6
[M]- 302.16950 166.6
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.