CID 137698951

4,4,5,5-tetramethyl-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C8H14BF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)CC(F)(F)F
InChI
InChI=1S/C8H14BF3O2/c1-6(2)7(3,4)14-9(13-6)5-8(10,11)12/h5H2,1-4H3
InChIKey
TVADKTGPYJJVQL-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

210.1039 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11118 135.5
[M+Na]+ 233.09312 145.3
[M-H]- 209.09662 137.2
[M+NH4]+ 228.13772 158.1
[M+K]+ 249.06706 146.6
[M+H-H2O]+ 193.10116 131.2
[M+HCOO]- 255.10210 151.9
[M+CH3COO]- 269.11775 185.3
[M+Na-2H]- 231.07857 142.7
[M]+ 210.10335 134.7
[M]- 210.10445 134.7
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