CID 54594010

[4-(oxolan-3-yloxy)phenyl]boronic acid

Structural Information

Molecular Formula
C10H13BO4
SMILES
B(C1=CC=C(C=C1)OC2CCOC2)(O)O
InChI
InChI=1S/C10H13BO4/c12-11(13)8-1-3-9(4-2-8)15-10-5-6-14-7-10/h1-4,10,12-13H,5-7H2
InChIKey
UFIRHIKFYGAQSK-UHFFFAOYSA-N
Compound name
[4-(oxolan-3-yloxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

208.09068 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09796 142.5
[M+Na]+ 231.07990 147.9
[M-H]- 207.08340 146.9
[M+NH4]+ 226.12450 160.0
[M+K]+ 247.05384 147.2
[M+H-H2O]+ 191.08794 136.6
[M+HCOO]- 253.08888 161.8
[M+CH3COO]- 267.10453 178.1
[M+Na-2H]- 229.06535 146.1
[M]+ 208.09013 140.8
[M]- 208.09123 140.8
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