CID 46739116

1072951-51-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

238.06487 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07215 149.0
[M+Na]+ 261.05409 158.4
[M+NH4]+ 256.09869 153.8
[M+K]+ 277.02803 156.5
[M-H]- 237.05759 147.1
[M+Na-2H]- 259.03954 151.6
[M]+ 238.06432 149.3
[M]- 238.06542 149.3
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