CID 45594311

6-(trifluoromethyl)pyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C6H3ClF3NO2S
SMILES
C1=CC(=NC=C1S(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C6H3ClF3NO2S/c7-14(12,13)4-1-2-5(11-3-4)6(8,9)10/h1-3H
InChIKey
NSGLNIQAWVNZFB-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)pyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

244.95251 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.95979 148.2
[M+Na]+ 267.94173 157.4
[M+NH4]+ 262.98633 153.3
[M+K]+ 283.91567 151.6
[M-H]- 243.94523 143.6
[M+Na-2H]- 265.92718 151.8
[M]+ 244.95196 148.6
[M]- 244.95306 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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