CID 3072229

141283-89-8

Structural Information

Molecular Formula
C11H12F3N3O3S
SMILES
CCS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)NC(=O)C=C
InChI
InChI=1S/C11H12F3N3O3S/c1-3-9(18)16-8-5-7(11(12,13)14)6-15-10(8)17-21(19,20)4-2/h3,5-6H,1,4H2,2H3,(H,15,17)(H,16,18)
InChIKey
DNAGSIXLHIUJLZ-UHFFFAOYSA-N
Compound name
N-[2-(ethylsulfonylamino)-5-(trifluoromethyl)pyridin-3-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.05515 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.06243 166.1
[M+Na]+ 346.04437 173.9
[M-H]- 322.04787 164.6
[M+NH4]+ 341.08897 178.7
[M+K]+ 362.01831 169.3
[M+H-H2O]+ 306.05241 156.5
[M+HCOO]- 368.05335 179.3
[M+CH3COO]- 382.06900 207.3
[M+Na-2H]- 344.02982 168.9
[M]+ 323.05460 164.5
[M]- 323.05570 164.5
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.