CID 3072225

Acetamide, n-(2-((phenylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-2,2,2-trifluoro-

Structural Information

Molecular Formula
C14H9F6N3O3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=N2)C(F)(F)F)NC(=O)C(F)(F)F
InChI
InChI=1S/C14H9F6N3O3S/c15-13(16,17)8-6-10(22-12(24)14(18,19)20)11(21-7-8)23-27(25,26)9-4-2-1-3-5-9/h1-7H,(H,21,23)(H,22,24)
InChIKey
OWZHTBDWFFDNIM-UHFFFAOYSA-N
Compound name
N-[2-(benzenesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.0269 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.03418 184.1
[M+Na]+ 436.01612 187.2
[M+NH4]+ 431.06072 184.2
[M+K]+ 451.99006 183.9
[M-H]- 412.01962 177.7
[M+Na-2H]- 434.00157 185.3
[M]+ 413.02635 182.5
[M]- 413.02745 182.5
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.