CID 59523742

944801-71-2

Structural Information

Molecular Formula
C16H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC=C(C3=CC=C2)O
InChI
InChI=1S/C16H19BO3/c1-15(2)16(3,4)20-17(19-15)13-9-5-8-12-11(13)7-6-10-14(12)18/h5-10,18H,1-4H3
InChIKey
SBCIIVDHLIVYLO-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

270.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15001 158.4
[M+Na]+ 293.13195 168.8
[M-H]- 269.13545 167.1
[M+NH4]+ 288.17655 179.1
[M+K]+ 309.10589 167.3
[M+H-H2O]+ 253.13999 153.5
[M+HCOO]- 315.14093 177.0
[M+CH3COO]- 329.15658 172.0
[M+Na-2H]- 291.11740 164.5
[M]+ 270.14218 161.5
[M]- 270.14328 161.5
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