CID 16218138

1072951-77-9

Structural Information

Molecular Formula
C17H15BO3
SMILES
B(C1=CC=CC=C1COC2=CC=CC3=CC=CC=C32)(O)O
InChI
InChI=1S/C17H15BO3/c19-18(20)16-10-4-2-7-14(16)12-21-17-11-5-8-13-6-1-3-9-15(13)17/h1-11,19-20H,12H2
InChIKey
QXLULGNNNOYHIY-UHFFFAOYSA-N
Compound name
[2-(naphthalen-1-yloxymethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

278.11142 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11870 161.5
[M+Na]+ 301.10064 168.2
[M-H]- 277.10414 166.4
[M+NH4]+ 296.14524 176.8
[M+K]+ 317.07458 163.5
[M+H-H2O]+ 261.10868 153.9
[M+HCOO]- 323.10962 180.9
[M+CH3COO]- 337.12527 172.6
[M+Na-2H]- 299.08609 167.3
[M]+ 278.11087 161.4
[M]- 278.11197 161.4
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