CID 12054761

Dimethylammonium borodisalicylate

Structural Information

Molecular Formula
C14H8BO6
SMILES
[B-]12(OC3=CC=CC=C3C(=O)O1)OC4=CC=CC=C4C(=O)O2
InChI
InChI=1S/C14H8BO6/c16-13-9-5-1-3-7-11(9)18-15(20-13)19-12-8-4-2-6-10(12)14(17)21-15/h1-8H/q-1
InChIKey
VDMQSGNQJOILDW-UHFFFAOYSA-N
Compound name
3,3'-spirobi[2,4-dioxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene]-5,5'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

283.04138 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.04866 153.0
[M+Na]+ 306.03060 162.1
[M-H]- 282.03410 161.8
[M+NH4]+ 301.07520 166.7
[M+K]+ 322.00454 163.9
[M+H-H2O]+ 266.03864 147.2
[M+HCOO]- 328.03958 167.7
[M+CH3COO]- 342.05523 195.2
[M+Na-2H]- 304.01605 164.3
[M]+ 283.04083 153.6
[M]- 283.04193 153.6
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