CID 112573139

2-(2,2-difluoroethoxy)pyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C7H6ClF2NO3S
SMILES
C1=CC(=C(N=C1)OCC(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C7H6ClF2NO3S/c8-15(12,13)5-2-1-3-11-7(5)14-4-6(9)10/h1-3,6H,4H2
InChIKey
NHDLKROPXWIMNG-UHFFFAOYSA-N
Compound name
2-(2,2-difluoroethoxy)pyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.9725 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.97978 142.9
[M+Na]+ 279.96172 153.2
[M-H]- 255.96522 143.3
[M+NH4]+ 275.00632 159.9
[M+K]+ 295.93566 149.2
[M+H-H2O]+ 239.96976 136.0
[M+HCOO]- 301.97070 153.4
[M+CH3COO]- 315.98635 187.7
[M+Na-2H]- 277.94717 146.5
[M]+ 256.97195 146.5
[M]- 256.97305 146.5
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.