CID 165951221

En300-26938033

Structural Information

Molecular Formula
C13H18BFO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C)S(=O)(=O)F
InChI
InChI=1S/C13H18BFO4S/c1-9-6-7-10(8-11(9)20(15,16)17)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3
InChIKey
ZVNDSDWPOKIVCG-UHFFFAOYSA-N
Compound name
2-methyl-5-(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

0
Patents

300.10028 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10756 156.6
[M+Na]+ 323.08950 167.6
[M-H]- 299.09300 164.6
[M+NH4]+ 318.13410 176.4
[M+K]+ 339.06344 167.5
[M+H-H2O]+ 283.09754 152.9
[M+HCOO]- 345.09848 171.1
[M+CH3COO]- 359.11413 199.8
[M+Na-2H]- 321.07495 161.3
[M]+ 300.09973 162.6
[M]- 300.10083 162.6
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.