CID 71303839

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydronaphthalen-1(2h)-one

Structural Information

Molecular Formula
C16H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=O)CCC3
InChI
InChI=1S/C16H21BO3/c1-15(2)16(3,4)20-17(19-15)12-8-9-13-11(10-12)6-5-7-14(13)18/h8-10H,5-7H2,1-4H3
InChIKey
FRCZOTWQPDOGQK-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

272.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.165676 158.9
[M+Na]+ 295.147618 167.9
[M-H]- 271.151124 168.1
[M+NH4]+ 290.192223 179.9
[M+K]+ 311.121558 166.9
[M+H-H2O]+ 255.155660 153.9
[M+HCOO]- 317.156601 176.2
[M+CH3COO]- 331.172251 198.8
[M+Na-2H]- 293.133066 163.6
[M]+ 272.15785142 160.1
[M]- 272.15894858 160.1
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