CID 139593212

2-(trifluoromethyl)pyridine-4-sulfonyl fluoride

Structural Information

Molecular Formula
C6H3F4NO2S
SMILES
C1=CN=C(C=C1S(=O)(=O)F)C(F)(F)F
InChI
InChI=1S/C6H3F4NO2S/c7-6(8,9)5-3-4(1-2-11-5)14(10,12)13/h1-3H
InChIKey
VEGJKBHMHKMYPP-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)pyridine-4-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.98206 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98934 137.4
[M+Na]+ 251.97128 148.4
[M-H]- 227.97478 135.4
[M+NH4]+ 247.01588 154.6
[M+K]+ 267.94522 144.9
[M+H-H2O]+ 211.97932 128.4
[M+HCOO]- 273.98026 149.8
[M+CH3COO]- 287.99591 183.5
[M+Na-2H]- 249.95673 142.2
[M]+ 228.98151 134.8
[M]- 228.98261 134.8
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.