CID 4526831

Dimethylammonium borodicatecholate

Structural Information

Molecular Formula
C12H8BO4
SMILES
[B-]12(OC3=CC=CC=C3O1)OC4=CC=CC=C4O2
InChI
InChI=1S/C12H8BO4/c1-2-6-10-9(5-1)14-13(15-10)16-11-7-3-4-8-12(11)17-13/h1-8H/q-1
InChIKey
RUGSNVPZRWHCCM-UHFFFAOYSA-N
Compound name
8,8'-spirobi[7,9-dioxa-8-boranuidabicyclo[4.3.0]nona-1,3,5-triene]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

227.05156 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05884 142.2
[M+Na]+ 250.04078 155.9
[M+NH4]+ 245.08538 153.0
[M+K]+ 266.01472 153.4
[M-H]- 226.04428 150.4
[M+Na-2H]- 248.02623 146.9
[M]+ 227.05101 146.5
[M]- 227.05211 146.5
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