CID 2773249

380430-52-4

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

41
Patents

256.0907 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09798 156.8
[M+Na]+ 279.07992 169.3
[M+NH4]+ 274.12452 163.8
[M+K]+ 295.05386 163.9
[M-H]- 255.08342 159.2
[M+Na-2H]- 277.06537 164.2
[M]+ 256.09015 159.1
[M]- 256.09125 159.1
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