CID 3072224

Propanamide, 2,2,3,3,3-pentafluoro-n-(2-((propylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-

Structural Information

Molecular Formula
C12H11F8N3O3S
SMILES
CCCS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)NC(=O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C12H11F8N3O3S/c1-2-3-27(25,26)23-8-7(4-6(5-21-8)11(15,16)17)22-9(24)10(13,14)12(18,19)20/h4-5H,2-3H2,1H3,(H,21,23)(H,22,24)
InChIKey
IJIRBIUVBXWKCW-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoro-N-[2-(propylsulfonylamino)-5-(trifluoromethyl)pyridin-3-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.03934 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.04662 183.1
[M+Na]+ 452.02856 190.8
[M-H]- 428.03206 175.3
[M+NH4]+ 447.07316 191.1
[M+K]+ 468.00250 185.9
[M+H-H2O]+ 412.03660 169.7
[M+HCOO]- 474.03754 187.4
[M+CH3COO]- 488.05319 225.2
[M+Na-2H]- 450.01401 185.5
[M]+ 429.03879 174.6
[M]- 429.03989 174.6
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.