CID 138040272

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

Structural Information

Molecular Formula
C8H13BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C=C(F)F
InChI
InChI=1S/C8H13BF2O2/c1-7(2)8(3,4)13-9(12-7)5-6(10)11/h5H,1-4H3
InChIKey
MVFUXTLLCRCQML-UHFFFAOYSA-N
Compound name
2-(2,2-difluoroethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09767 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10495 132.8
[M+Na]+ 213.08689 142.1
[M-H]- 189.09039 135.6
[M+NH4]+ 208.13149 156.0
[M+K]+ 229.06083 143.2
[M+H-H2O]+ 173.09493 128.8
[M+HCOO]- 235.09587 150.9
[M+CH3COO]- 249.11152 182.1
[M+Na-2H]- 211.07234 138.2
[M]+ 190.09712 132.3
[M]- 190.09822 132.3
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.