CID 118703475

(3,5-bis(ethoxycarbonyl)phenyl)boronic acid

Structural Information

Molecular Formula
C12H15BO6
SMILES
B(C1=CC(=CC(=C1)C(=O)OCC)C(=O)OCC)(O)O
InChI
InChI=1S/C12H15BO6/c1-3-18-11(14)8-5-9(12(15)19-4-2)7-10(6-8)13(16)17/h5-7,16-17H,3-4H2,1-2H3
InChIKey
XXBGYFGJSMAOSZ-UHFFFAOYSA-N
Compound name
[3,5-bis(ethoxycarbonyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

266.09616 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10344 157.8
[M+Na]+ 289.08538 166.8
[M+NH4]+ 284.12998 162.2
[M+K]+ 305.05932 164.4
[M-H]- 265.08888 155.8
[M+Na-2H]- 287.07083 159.9
[M]+ 266.09561 158.0
[M]- 266.09671 158.0
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