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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.97035 146.7
[M+Na]+ 297.95229 157.7
[M-H]- 273.95579 146.0
[M+NH4]+ 292.99689 163.1
[M+K]+ 313.92623 153.3
[M+H-H2O]+ 257.96033 139.1
[M+HCOO]- 319.96127 155.7
[M+CH3COO]- 333.97692 189.4
[M+Na-2H]- 295.93774 151.7
[M]+ 274.96252 149.1
[M]- 274.96362 149.1
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.