CID 118804033

2-(trifluoromethoxy)pyridine-4-sulfonyl chloride

Structural Information

Molecular Formula
C6H3ClF3NO3S
SMILES
C1=CN=C(C=C1S(=O)(=O)Cl)OC(F)(F)F
InChI
InChI=1S/C6H3ClF3NO3S/c7-15(12,13)4-1-2-11-5(3-4)14-6(8,9)10/h1-3H
InChIKey
PJTADJYCGOFSJP-UHFFFAOYSA-N
Compound name
2-(trifluoromethoxy)pyridine-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.94742 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.95470 142.2
[M+Na]+ 283.93664 153.5
[M-H]- 259.94014 141.6
[M+NH4]+ 278.98124 159.0
[M+K]+ 299.91058 149.4
[M+H-H2O]+ 243.94468 134.8
[M+HCOO]- 305.94562 151.4
[M+CH3COO]- 319.96127 186.5
[M+Na-2H]- 281.92209 147.6
[M]+ 260.94687 144.1
[M]- 260.94797 144.1
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.