CID 57968699

1187190-70-0

Structural Information

Molecular Formula
C7H7BO3
SMILES
B1(C2=C(CO1)C=C(C=C2)O)O
InChI
InChI=1S/C7H7BO3/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,9-10H,4H2
InChIKey
GEQGETTVGJBBOI-UHFFFAOYSA-N
Compound name
1-hydroxy-3H-2,1-benzoxaborol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

150.04883 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05611 125.5
[M+Na]+ 173.03805 137.4
[M+NH4]+ 168.08265 134.4
[M+K]+ 189.01199 134.5
[M-H]- 149.04155 127.9
[M+Na-2H]- 171.02350 129.8
[M]+ 150.04828 127.7
[M]- 150.04938 127.7
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