CID 58134

100991-78-4

Structural Information

Molecular Formula
C11H17BF6O3
SMILES
B1(OC(CC(O1)(C(F)(F)F)C(F)(F)F)C(C)(C)C)OCC
InChI
InChI=1S/C11H17BF6O3/c1-5-19-12-20-7(8(2,3)4)6-9(21-12,10(13,14)15)11(16,17)18/h7H,5-6H2,1-4H3
InChIKey
WQBJAVALEDDXNF-UHFFFAOYSA-N
Compound name
6-tert-butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1175 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12478 165.0
[M+Na]+ 345.10672 172.8
[M-H]- 321.11022 162.1
[M+NH4]+ 340.15132 179.1
[M+K]+ 361.08066 173.7
[M+H-H2O]+ 305.11476 156.4
[M+HCOO]- 367.11570 172.2
[M+CH3COO]- 381.13135 205.4
[M+Na-2H]- 343.09217 170.5
[M]+ 322.11695 158.9
[M]- 322.11805 158.9
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

No patent data available for this compound.