CID 46739738

1218790-91-0

Structural Information

Molecular Formula
C17H15BO3
SMILES
B(C1=CC(=CC=C1)COC2=CC=CC3=CC=CC=C32)(O)O
InChI
InChI=1S/C17H15BO3/c19-18(20)15-8-3-5-13(11-15)12-21-17-10-4-7-14-6-1-2-9-16(14)17/h1-11,19-20H,12H2
InChIKey
SBVPZHOJJDYHHW-UHFFFAOYSA-N
Compound name
[3-(naphthalen-1-yloxymethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

278.11142 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11870 163.1
[M+Na]+ 301.10064 178.2
[M+NH4]+ 296.14524 172.0
[M+K]+ 317.07458 170.3
[M-H]- 277.10414 167.8
[M+Na-2H]- 299.08609 172.0
[M]+ 278.11087 166.7
[M]- 278.11197 166.7
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