CID 132398582

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

Structural Information

Molecular Formula
C7H5ClF3NO2S
SMILES
CC1=CC(=CN=C1C(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C7H5ClF3NO2S/c1-4-2-5(15(8,13)14)3-12-6(4)7(9,10)11/h2-3H,1H3
InChIKey
NPVQFCSFNYLAIN-UHFFFAOYSA-N
Compound name
5-methyl-6-(trifluoromethyl)pyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.96817 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.97545 143.1
[M+Na]+ 281.95739 155.1
[M-H]- 257.96089 142.8
[M+NH4]+ 277.00199 160.5
[M+K]+ 297.93133 150.2
[M+H-H2O]+ 241.96543 135.9
[M+HCOO]- 303.96637 151.7
[M+CH3COO]- 317.98202 188.6
[M+Na-2H]- 279.94284 147.2
[M]+ 258.96762 144.4
[M]- 258.96872 144.4
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.