CID 19363104

3,5-bis(methoxycarbonyl)phenylboronic acid

Structural Information

Molecular Formula
C10H11BO6
SMILES
B(C1=CC(=CC(=C1)C(=O)OC)C(=O)OC)(O)O
InChI
InChI=1S/C10H11BO6/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)11(14)15/h3-5,14-15H,1-2H3
InChIKey
WEJWFDLAZSVCJK-UHFFFAOYSA-N
Compound name
[3,5-bis(methoxycarbonyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

238.06487 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.072146 146.7
[M+Na]+ 261.054088 153.8
[M-H]- 237.057594 148.1
[M+NH4]+ 256.098693 163.0
[M+K]+ 277.028028 153.6
[M+H-H2O]+ 221.062130 141.0
[M+HCOO]- 283.063071 166.5
[M+CH3COO]- 297.078721 186.2
[M+Na-2H]- 259.039536 148.3
[M]+ 238.06432142 149.6
[M]- 238.06541858 149.6
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

patents stripe