CID 16218137

2-[(4'-chloro-1-naphthyloxy)methyl]phenylboronic acid

Structural Information

Molecular Formula
C17H14BClO3
SMILES
B(C1=CC=CC=C1COC2=CC=C(C3=CC=CC=C32)Cl)(O)O
InChI
InChI=1S/C17H14BClO3/c19-16-9-10-17(14-7-3-2-6-13(14)16)22-11-12-5-1-4-8-15(12)18(20)21/h1-10,20-21H,11H2
InChIKey
IAOBABROWUQOMY-UHFFFAOYSA-N
Compound name
[2-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

312.07245 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07973 168.8
[M+Na]+ 335.06167 185.2
[M+NH4]+ 330.10627 177.9
[M+K]+ 351.03561 176.5
[M-H]- 311.06517 173.6
[M+Na-2H]- 333.04712 177.6
[M]+ 312.07190 173.0
[M]- 312.07300 173.0
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