CID 82055441

5-(trifluoroacetamido)pyridine-2-sulfonyl chloride

Structural Information

Molecular Formula
C7H4ClF3N2O3S
SMILES
C1=CC(=NC=C1NC(=O)C(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C7H4ClF3N2O3S/c8-17(15,16)5-2-1-4(3-12-5)13-6(14)7(9,10)11/h1-3H,(H,13,14)
InChIKey
QBEPUMYJPSFUNN-UHFFFAOYSA-N
Compound name
5-[(2,2,2-trifluoroacetyl)amino]pyridine-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.9583 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.96558 149.5
[M+Na]+ 310.94752 159.6
[M-H]- 286.95102 148.8
[M+NH4]+ 305.99212 164.8
[M+K]+ 326.92146 154.9
[M+H-H2O]+ 270.95556 141.8
[M+HCOO]- 332.95650 158.6
[M+CH3COO]- 346.97215 193.5
[M+Na-2H]- 308.93297 154.1
[M]+ 287.95775 149.8
[M]- 287.95885 149.8
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.