CID 2773249

3-(benzyloxycarbonyl)phenylboronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula
C14H13BO4
SMILES
B(C1=CC(=CC=C1)C(=O)OCC2=CC=CC=C2)(O)O
InChI
InChI=1S/C14H13BO4/c16-14(19-10-11-5-2-1-3-6-11)12-7-4-8-13(9-12)15(17)18/h1-9,17-18H,10H2
InChIKey
JJEBLYAGYRLJRG-UHFFFAOYSA-N
Compound name
(3-phenylmethoxycarbonylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

256.0907 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09798 155.4
[M+Na]+ 279.07992 161.2
[M-H]- 255.08342 159.4
[M+NH4]+ 274.12452 170.4
[M+K]+ 295.05386 158.2
[M+H-H2O]+ 239.08796 148.2
[M+HCOO]- 301.08890 175.6
[M+CH3COO]- 315.10455 189.0
[M+Na-2H]- 277.06537 159.1
[M]+ 256.09015 155.2
[M]- 256.09125 155.2
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