CID 200498

4-[(4-chlorophenoxy)methyl]-2-phenyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H14BClO3
SMILES
B1(OCC(O1)COC2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C15H14BClO3/c17-13-6-8-14(9-7-13)18-10-15-11-19-16(20-15)12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKey
XSLLVTCJWSNEBR-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenoxy)methyl]-2-phenyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.07245 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07973 162.4
[M+Na]+ 311.06167 178.0
[M+NH4]+ 306.10627 171.9
[M+K]+ 327.03561 171.8
[M-H]- 287.06517 171.2
[M+Na-2H]- 309.04712 171.3
[M]+ 288.07190 167.6
[M]- 288.07300 167.6
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

No patent data available for this compound.