CID 165706748

3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonyl fluoride

Structural Information

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

301.09555 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10283 164.5
[M+Na]+ 324.08477 173.6
[M+NH4]+ 319.12937 173.0
[M+K]+ 340.05871 166.9
[M-H]- 300.08827 167.2
[M+Na-2H]- 322.07022 170.1
[M]+ 301.09500 167.2
[M]- 301.09610 167.2
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.