CID 165771720

En300-26625657

Structural Information

Molecular Formula
C14H18BFO7S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)OS(=O)(=O)F)C(=O)OC
InChI
InChI=1S/C14H18BFO7S/c1-13(2)14(3,4)23-15(22-13)10-6-9(12(17)20-5)7-11(8-10)21-24(16,18)19/h6-8H,1-5H3
InChIKey
WUNBYVKRWVKHIN-UHFFFAOYSA-N
Compound name
methyl 3-fluorosulfonyloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.08502 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09230 169.1
[M+Na]+ 383.07424 178.8
[M-H]- 359.07774 176.8
[M+NH4]+ 378.11884 185.8
[M+K]+ 399.04818 180.3
[M+H-H2O]+ 343.08228 165.3
[M+HCOO]- 405.08322 182.9
[M+CH3COO]- 419.09887 208.8
[M+Na-2H]- 381.05969 173.6
[M]+ 360.08447 178.4
[M]- 360.08557 178.4
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.