CID 125449417

3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C12H16BFO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)S(=O)(=O)F
InChI
InChI=1S/C12H16BFO4S/c1-11(2)12(3,4)18-13(17-11)9-6-5-7-10(8-9)19(14,15)16/h5-8H,1-4H3
InChIKey
NPHGTCXXRUOLBT-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

286.08463 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09191 153.6
[M+Na]+ 309.07385 164.3
[M-H]- 285.07735 161.5
[M+NH4]+ 304.11845 173.7
[M+K]+ 325.04779 164.3
[M+H-H2O]+ 269.08189 149.8
[M+HCOO]- 331.08283 168.5
[M+CH3COO]- 345.09848 195.5
[M+Na-2H]- 307.05930 159.2
[M]+ 286.08408 158.8
[M]- 286.08518 158.8
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