CID 22346826

5-phenoxy-1,3-dihydro-2,1-benzoxaborol-1-ol

Structural Information

Molecular Formula
C13H11BO3
SMILES
B1(C2=C(CO1)C=C(C=C2)OC3=CC=CC=C3)O
InChI
InChI=1S/C13H11BO3/c15-14-13-7-6-12(8-10(13)9-16-14)17-11-4-2-1-3-5-11/h1-8,15H,9H2
InChIKey
FQDFSPUTOJOLJG-UHFFFAOYSA-N
Compound name
1-hydroxy-5-phenoxy-3H-2,1-benzoxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

163
Patents

226.08012 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08740 145.0
[M+Na]+ 249.06934 153.5
[M-H]- 225.07284 152.4
[M+NH4]+ 244.11394 164.0
[M+K]+ 265.04328 151.1
[M+H-H2O]+ 209.07738 138.9
[M+HCOO]- 271.07832 167.0
[M+CH3COO]- 285.09397 158.6
[M+Na-2H]- 247.05479 151.8
[M]+ 226.07957 146.1
[M]- 226.08067 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe