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

7
Patents

283.04138 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.04866 157.5
[M+Na]+ 306.03060 172.7
[M+NH4]+ 301.07520 166.7
[M+K]+ 322.00454 166.4
[M-H]- 282.03410 165.9
[M+Na-2H]- 304.01605 162.2
[M]+ 283.04083 162.1
[M]- 283.04193 162.1
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