CID 52919291

Benzo[c][1,2]oxaborole-1,6(3h)-diol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

54
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

literature stripe

Patent stripe

patents stripe