CID 71758166

6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₅ClF₃NO₃S

SMILES

C1=CC(=NC=C1S(=O)(=O)Cl)OCC(F)(F)F

InChI

InChI=1S/C7H5ClF3NO3S/c8-16(13,14)5-1-2-6(12-3-5)15-4-7(9,10)11/h1-3H,4H2

InChIKey

QEDNFZJYFXUQDH-UHFFFAOYSA-N

Compound name

6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.96307 Da
Monoisotopic Mass: 2.3
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]+	275.970346	146.7
[M+Na]+	297.952288	157.7
[M-H]-	273.955794	146.0
[M+NH4]+	292.996893	163.1
[M+K]+	313.926228	153.3
[M+H-H2O]+	257.960330	139.1
[M+HCOO]-	319.961271	155.7
[M+CH3COO]-	333.976921	189.4
[M+Na-2H]-	295.937736	151.7
[M]+	274.96252142	149.1
[M]-	274.96361858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.