CID 425307

Triacetyl borate

Structural Information

Molecular Formula
C6H9BO6
SMILES
B(OC(=O)C)(OC(=O)C)OC(=O)C
InChI
InChI=1S/C6H9BO6/c1-4(8)11-7(12-5(2)9)13-6(3)10/h1-3H3
InChIKey
KWZWNVAHEQHCTQ-UHFFFAOYSA-N
Compound name
diacetyloxyboranyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

25
References

39900
Patents

188.04922 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05650 133.8
[M+Na]+ 211.03844 140.7
[M-H]- 187.04194 134.4
[M+NH4]+ 206.08304 153.3
[M+K]+ 227.01238 143.4
[M+H-H2O]+ 171.04648 128.9
[M+HCOO]- 233.04742 155.6
[M+CH3COO]- 247.06307 180.5
[M+Na-2H]- 209.02389 136.0
[M]+ 188.04867 139.4
[M]- 188.04977 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe