CID 155822786

4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C12H17BFNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)S(=O)(=O)N)F
InChI
InChI=1S/C12H17BFNO4S/c1-11(2)12(3,4)19-13(18-11)9-7-8(20(15,16)17)5-6-10(9)14/h5-7H,1-4H3,(H2,15,16,17)
InChIKey
DOFMAXIDJCBUFH-UHFFFAOYSA-N
Compound name
4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

301.09555 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.102826 158.5
[M+Na]+ 324.084768 168.9
[M-H]- 300.088274 165.8
[M+NH4]+ 319.129373 177.4
[M+K]+ 340.058708 168.3
[M+H-H2O]+ 284.092810 154.4
[M+HCOO]- 346.093751 173.4
[M+CH3COO]- 360.109401 201.3
[M+Na-2H]- 322.070216 163.1
[M]+ 301.09500142 162.3
[M]- 301.09609858 162.3
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