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

0
Patents

301.09555 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10283 158.5
[M+Na]+ 324.08477 168.9
[M-H]- 300.08827 165.8
[M+NH4]+ 319.12937 177.4
[M+K]+ 340.05871 168.3
[M+H-H2O]+ 284.09281 154.4
[M+HCOO]- 346.09375 173.4
[M+CH3COO]- 360.10940 201.3
[M+Na-2H]- 322.07022 163.1
[M]+ 301.09500 162.3
[M]- 301.09610 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

No patent data available for this compound.