CID 57416879

2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-fluoren-9-one

Structural Information

Molecular Formula
C19H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=CC=CC=C4C3=O
InChI
InChI=1S/C19H19BO3/c1-18(2)19(3,4)23-20(22-18)12-9-10-14-13-7-5-6-8-15(13)17(21)16(14)11-12/h5-11H,1-4H3
InChIKey
RPEULEQBKDIQDZ-UHFFFAOYSA-N
Compound name
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.15001 167.6
[M+Na]+ 329.13195 179.5
[M-H]- 305.13545 178.9
[M+NH4]+ 324.17655 190.3
[M+K]+ 345.10589 176.8
[M+H-H2O]+ 289.13999 163.1
[M+HCOO]- 351.14093 187.3
[M+CH3COO]- 365.15658 181.7
[M+Na-2H]- 327.11740 171.5
[M]+ 306.14218 172.6
[M]- 306.14328 172.6
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.