CID 67693

Tris(trifluoroacetoxy)borane

Structural Information

Molecular Formula
C6BF9O6
SMILES
B(OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
InChI
InChI=1S/C6BF9O6/c8-4(9,10)1(17)20-7(21-2(18)5(11,12)13)22-3(19)6(14,15)16
InChIKey
CWBHKBKGKCDGDM-UHFFFAOYSA-N
Compound name
bis[(2,2,2-trifluoroacetyl)oxy]boranyl 2,2,2-trifluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2233
Patents

349.96442 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.97170 153.2
[M+Na]+ 372.95364 161.9
[M-H]- 348.95714 142.9
[M+NH4]+ 367.99824 160.7
[M+K]+ 388.92758 162.4
[M+H-H2O]+ 332.96168 142.2
[M+HCOO]- 394.96262 163.0
[M+CH3COO]- 408.97827 205.1
[M+Na-2H]- 370.93909 154.1
[M]+ 349.96387 144.7
[M]- 349.96497 144.7
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