CID 132327666

4,4,5,5-tetramethyl-2-[4-(2,2,3,3-tetrafluorocyclobutyl)phenyl]-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H19BF4O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3CC(C3(F)F)(F)F
InChI
InChI=1S/C16H19BF4O2/c1-13(2)14(3,4)23-17(22-13)11-7-5-10(6-8-11)12-9-15(18,19)16(12,20)21/h5-8,12H,9H2,1-4H3
InChIKey
LJHQBFHWIVWFRL-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[4-(2,2,3,3-tetrafluorocyclobutyl)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.14142 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14870 162.4
[M+Na]+ 353.13064 173.0
[M-H]- 329.13414 170.0
[M+NH4]+ 348.17524 177.9
[M+K]+ 369.10458 173.8
[M+H-H2O]+ 313.13868 152.8
[M+HCOO]- 375.13962 176.7
[M+CH3COO]- 389.15527 211.6
[M+Na-2H]- 351.11609 165.6
[M]+ 330.14087 169.7
[M]- 330.14197 169.7
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

No patent data available for this compound.