CID 3072217

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

Structural Information

Molecular Formula
C10H7F8N3O3S
SMILES
CS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)NC(=O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C10H7F8N3O3S/c1-25(23,24)21-6-5(2-4(3-19-6)9(13,14)15)20-7(22)8(11,12)10(16,17)18/h2-3H,1H3,(H,19,21)(H,20,22)
InChIKey
PVLQFURUQXYNMA-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoro-N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.00803 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.01531 174.4
[M+Na]+ 423.99725 182.9
[M-H]- 400.00075 166.9
[M+NH4]+ 419.04185 183.4
[M+K]+ 439.97119 178.4
[M+H-H2O]+ 384.00529 161.3
[M+HCOO]- 446.00623 179.3
[M+CH3COO]- 460.02188 219.5
[M+Na-2H]- 421.98270 177.5
[M]+ 401.00748 165.2
[M]- 401.00858 165.2
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.