CID 138040388

2243507-05-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 142.8
[M+Na]+ 301.90276 155.2
[M-H]- 277.90626 142.2
[M+NH4]+ 296.94736 159.7
[M+K]+ 317.87670 149.4
[M+H-H2O]+ 261.91080 136.5
[M+HCOO]- 323.91174 146.8
[M+CH3COO]- 337.92739 190.2
[M+Na-2H]- 299.88821 146.8
[M]+ 278.91299 144.6
[M]- 278.91409 144.6
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.