CID 403788

2,1-benzoxaborol-1(3h)-ol

Structural Information

Molecular Formula
C7H7BO2
SMILES
B1(C2=CC=CC=C2CO1)O
InChI
InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2
InChIKey
XOQABDOICLHPIS-UHFFFAOYSA-N
Compound name
1-hydroxy-3H-2,1-benzoxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

2739
Patents

134.05391 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06119 121.1
[M+Na]+ 157.04313 130.0
[M-H]- 133.04663 125.3
[M+NH4]+ 152.08773 144.1
[M+K]+ 173.01707 129.1
[M+H-H2O]+ 117.05117 116.8
[M+HCOO]- 179.05211 143.4
[M+CH3COO]- 193.06776 136.1
[M+Na-2H]- 155.02858 129.7
[M]+ 134.05336 120.8
[M]- 134.05446 120.8
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