CID 3072222

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

Structural Information

Molecular Formula
C11H9F8N3O3S
SMILES
CCS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)NC(=O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C11H9F8N3O3S/c1-2-26(24,25)22-7-6(3-5(4-20-7)10(14,15)16)21-8(23)9(12,13)11(17,18)19/h3-4H,2H2,1H3,(H,20,22)(H,21,23)
InChIKey
QQIWNXPFDILEQH-UHFFFAOYSA-N
Compound name
N-[2-(ethylsulfonylamino)-5-(trifluoromethyl)pyridin-3-yl]-2,2,3,3,3-pentafluoropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

415.02368 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.03096 178.8
[M+Na]+ 438.01290 186.9
[M-H]- 414.01640 171.1
[M+NH4]+ 433.05750 187.3
[M+K]+ 453.98684 182.2
[M+H-H2O]+ 398.02094 165.5
[M+HCOO]- 460.02188 183.4
[M+CH3COO]- 474.03753 222.4
[M+Na-2H]- 435.99835 181.5
[M]+ 415.02313 169.9
[M]- 415.02423 169.9
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

patents stripe