CID 102527292

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

Structural Information

Molecular Formula
C9H14BF5O2
SMILES
B1(OC(C(O1)(C)C)(C)C)CC(C(F)(F)F)(F)F
InChI
InChI=1S/C9H14BF5O2/c1-6(2)7(3,4)17-10(16-6)5-8(11,12)9(13,14)15/h5H2,1-4H3
InChIKey
PJVNADMFANHGPR-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(2,2,3,3,3-pentafluoropropyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1007 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10798 145.1
[M+Na]+ 283.08992 154.9
[M-H]- 259.09342 144.1
[M+NH4]+ 278.13452 165.5
[M+K]+ 299.06386 155.7
[M+H-H2O]+ 243.09796 139.5
[M+HCOO]- 305.09890 157.5
[M+CH3COO]- 319.11455 194.6
[M+Na-2H]- 281.07537 151.7
[M]+ 260.10015 141.4
[M]- 260.10125 141.4
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.