CID 165705752

2075724-11-5

Structural Information

Molecular Formula
C12H16BFO5S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OS(=O)(=O)F
InChI
InChI=1S/C12H16BFO5S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)17-20(14,15)16/h5-8H,1-4H3
InChIKey
ZIQXAGFNMOTODH-UHFFFAOYSA-N
Compound name
2-(4-fluorosulfonyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.07956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08684 156.9
[M+Na]+ 325.06878 167.3
[M-H]- 301.07228 164.7
[M+NH4]+ 320.11338 176.2
[M+K]+ 341.04272 167.9
[M+H-H2O]+ 285.07682 152.9
[M+HCOO]- 347.07776 172.0
[M+CH3COO]- 361.09341 197.7
[M+Na-2H]- 323.05423 162.8
[M]+ 302.07901 163.6
[M]- 302.08011 163.6
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.