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

30
Patents

238.06487 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07215 146.7
[M+Na]+ 261.05409 153.8
[M-H]- 237.05759 148.1
[M+NH4]+ 256.09869 163.0
[M+K]+ 277.02803 153.6
[M+H-H2O]+ 221.06213 141.0
[M+HCOO]- 283.06307 166.5
[M+CH3COO]- 297.07872 186.2
[M+Na-2H]- 259.03954 148.3
[M]+ 238.06432 149.6
[M]- 238.06542 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