CID 46739382

1150271-69-4

Structural Information

Molecular Formula
C14H18BF3O4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)S(=O)(=O)C(F)(F)F)C
InChI
InChI=1S/C14H18BF3O4S/c1-9-6-7-10(23(19,20)14(16,17)18)8-11(9)15-21-12(2,3)13(4,5)22-15/h6-8H,1-5H3
InChIKey
YCNPSGDEXSAHSO-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

350.0971 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.10438 182.9
[M+Na]+ 373.08632 190.2
[M+NH4]+ 368.13092 189.1
[M+K]+ 389.06026 183.6
[M-H]- 349.08982 181.4
[M+Na-2H]- 371.07177 186.1
[M]+ 350.09655 184.1
[M]- 350.09765 184.1
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