CID 70700727

6-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C6H2Cl2F3NO2S
SMILES
C1=C(C=NC(=C1C(F)(F)F)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C6H2Cl2F3NO2S/c7-5-4(6(9,10)11)1-3(2-12-5)15(8,13)14/h1-2H
InChIKey
UUVXRPZDCPBGQS-UHFFFAOYSA-N
Compound name
6-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

278
Patents

278.91354 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.92082 151.9
[M+Na]+ 301.90276 161.7
[M+NH4]+ 296.94736 157.0
[M+K]+ 317.87670 155.6
[M-H]- 277.90626 147.3
[M+Na-2H]- 299.88821 155.4
[M]+ 278.91299 152.7
[M]- 278.91409 152.7
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

patents stripe