CID 91647469

2,4,6-trifluoropyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C5HClF3NO2S
SMILES
C1=C(C(=C(N=C1F)F)S(=O)(=O)Cl)F
InChI
InChI=1S/C5HClF3NO2S/c6-13(11,12)4-2(7)1-3(8)10-5(4)9/h1H
InChIKey
NKHYQOJFCKQEKZ-UHFFFAOYSA-N
Compound name
2,4,6-trifluoropyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.93686 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.94414 132.2
[M+Na]+ 253.92608 145.5
[M-H]- 229.92958 132.2
[M+NH4]+ 248.97068 150.9
[M+K]+ 269.90002 140.7
[M+H-H2O]+ 213.93412 125.3
[M+HCOO]- 275.93506 143.0
[M+CH3COO]- 289.95071 184.0
[M+Na-2H]- 251.91153 135.8
[M]+ 230.93631 133.9
[M]- 230.93741 133.9
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.