CID 3072226

141283-83-2

Structural Information

Molecular Formula
C10H8F8N4O3S
SMILES
CS(=O)(=O)NNC1=C(C=C(C=N1)C(F)(F)F)NC(=O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C10H8F8N4O3S/c1-26(24,25)22-21-6-5(2-4(3-19-6)9(13,14)15)20-7(23)8(11,12)10(16,17)18/h2-3,22H,1H3,(H,19,21)(H,20,23)
InChIKey
JKJZIHPGFXCGOB-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoro-N-[2-(2-methylsulfonylhydrazinyl)-5-(trifluoromethyl)pyridin-3-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.01895 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.02623 177.0
[M+Na]+ 439.00817 184.5
[M-H]- 415.01167 169.4
[M+NH4]+ 434.05277 185.0
[M+K]+ 454.98211 180.1
[M+H-H2O]+ 399.01621 163.5
[M+HCOO]- 461.01715 182.8
[M+CH3COO]- 475.03280 224.6
[M+Na-2H]- 436.99362 180.9
[M]+ 416.01840 167.0
[M]- 416.01950 167.0
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.