CID 11275562

Bis(oxalato)borate

Structural Information

Molecular Formula
C4BO8
SMILES
[B-]12(OC(=O)C(=O)O1)OC(=O)C(=O)O2
InChI
InChI=1S/C4BO8/c6-1-2(7)11-5(10-1)12-3(8)4(9)13-5/q-1
InChIKey
IKHPCVLSMLIHHR-UHFFFAOYSA-N
Compound name
1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonane-2,3,7,8-tetrone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

25
Patents

186.96863 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97591 123.8
[M+Na]+ 209.95785 134.0
[M-H]- 185.96135 131.4
[M+NH4]+ 205.00245 143.0
[M+K]+ 225.93179 138.2
[M+H-H2O]+ 169.96589 124.9
[M+HCOO]- 231.96683 144.4
[M+CH3COO]- 245.98248 172.2
[M+Na-2H]- 207.94330 132.2
[M]+ 186.96808 126.5
[M]- 186.96918 126.5
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