CID 43292

6h-dibenz(c,e)(1,2)oxaborin, 6,6-dihydroxy-, lithium salt

Structural Information

Molecular Formula
C12H10BO3
SMILES
[B-]1(C2=CC=CC=C2C3=CC=CC=C3O1)(O)O
InChI
InChI=1S/C12H10BO3/c14-13(15)11-7-3-1-5-9(11)10-6-2-4-8-12(10)16-13/h1-8,14-15H/q-1
InChIKey
MOTMJBPUACJAPI-UHFFFAOYSA-N
Compound name
9,9-dihydroxy-8-oxa-9-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0723 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.07958 138.0
[M+Na]+ 236.06152 146.8
[M-H]- 212.06502 140.3
[M+NH4]+ 231.10612 157.5
[M+K]+ 252.03546 143.8
[M+H-H2O]+ 196.06956 134.4
[M+HCOO]- 258.07050 155.6
[M+CH3COO]- 272.08615 178.2
[M+Na-2H]- 234.04697 148.4
[M]+ 213.07175 135.4
[M]- 213.07285 135.4
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

No patent data available for this compound.