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 182.8
[M+Na]+ 436.01612 190.9
[M-H]- 412.01962 180.6
[M+NH4]+ 431.06072 191.2
[M+K]+ 451.99006 185.1
[M+H-H2O]+ 396.02416 169.7
[M+HCOO]- 458.02510 191.6
[M+CH3COO]- 472.04075 221.0
[M+Na-2H]- 434.00157 186.7
[M]+ 413.02635 176.5
[M]- 413.02745 176.5
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.