CID 17925331

282116-97-6

Structural Information

Molecular Formula
C10H13BO5
SMILES
B(C1=CC=C(C=C1)OCC(=O)OCC)(O)O
InChI
InChI=1S/C10H13BO5/c1-2-15-10(12)7-16-9-5-3-8(4-6-9)11(13)14/h3-6,13-14H,2,7H2,1H3
InChIKey
MECJJOCHJYCOJS-UHFFFAOYSA-N
Compound name
[4-(2-ethoxy-2-oxoethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

224.0856 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09288 147.5
[M+Na]+ 247.07482 157.4
[M+NH4]+ 242.11942 153.3
[M+K]+ 263.04876 153.9
[M-H]- 223.07832 146.6
[M+Na-2H]- 245.06027 151.2
[M]+ 224.08505 148.2
[M]- 224.08615 148.2
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