CID 3072216

141283-56-9

Structural Information

Molecular Formula
C9H7F6N3O3S
SMILES
CS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)NC(=O)C(F)(F)F
InChI
InChI=1S/C9H7F6N3O3S/c1-22(20,21)18-6-5(17-7(19)9(13,14)15)2-4(3-16-6)8(10,11)12/h2-3H,1H3,(H,16,18)(H,17,19)
InChIKey
WCCLZCNLCCMRGQ-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.01123 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.01851 165.2
[M+Na]+ 374.00045 173.9
[M-H]- 350.00395 160.2
[M+NH4]+ 369.04505 176.5
[M+K]+ 389.97439 169.8
[M+H-H2O]+ 334.00849 153.6
[M+HCOO]- 396.00943 174.1
[M+CH3COO]- 410.02508 210.4
[M+Na-2H]- 371.98590 168.5
[M]+ 351.01068 159.1
[M]- 351.01178 159.1
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.