CID 2724243

60669-69-4

Structural Information

Molecular Formula

C₉H₁₈BF₃O₃S

SMILES

B(CCCC)(CCCC)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C9H18BF3O3S/c1-3-5-7-10(8-6-4-2)16-17(14,15)9(11,12)13/h3-8H2,1-2H3

InChIKey

FAVAVMFXAKZTMV-UHFFFAOYSA-N

Compound name

dibutylboranyl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1258
Patents: 274.10217 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.10945	156.4
[M+Na]+	297.09139	162.8
[M-H]-	273.09489	152.3
[M+NH4]+	292.13599	173.1
[M+K]+	313.06533	160.7
[M+H-H2O]+	257.09943	148.7
[M+HCOO]-	319.10037	167.4
[M+CH3COO]-	333.11602	195.7
[M+Na-2H]-	295.07684	157.1
[M]+	274.10162	158.7
[M]-	274.10272	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe