CID 11846117

174671-92-2

Structural Information

Molecular Formula
C8H9BO3
SMILES
B1(C2=C(CO1)C=C(C=C2)OC)O
InChI
InChI=1S/C8H9BO3/c1-11-7-2-3-8-6(4-7)5-12-9(8)10/h2-4,10H,5H2,1H3
InChIKey
XBCBZHBKJDEYCI-UHFFFAOYSA-N
Compound name
1-hydroxy-5-methoxy-3H-2,1-benzoxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

125
Patents

164.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.071746 128.6
[M+Na]+ 187.053688 137.9
[M-H]- 163.057194 133.0
[M+NH4]+ 182.098293 150.6
[M+K]+ 203.027628 137.2
[M+H-H2O]+ 147.061730 124.1
[M+HCOO]- 209.062671 150.8
[M+CH3COO]- 223.078321 174.1
[M+Na-2H]- 185.039136 136.0
[M]+ 164.06392142 130.5
[M]- 164.06501858 130.5
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