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

13
Patents

227.05156 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05884 139.0
[M+Na]+ 250.04078 148.8
[M-H]- 226.04428 148.1
[M+NH4]+ 245.08538 158.8
[M+K]+ 266.01472 150.3
[M+H-H2O]+ 210.04882 137.6
[M+HCOO]- 272.04976 158.3
[M+CH3COO]- 286.06541 153.7
[M+Na-2H]- 248.02623 148.8
[M]+ 227.05101 141.1
[M]- 227.05211 141.1
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