CID 3072215

Acetamide, 2-chloro-2,2-difluoro-n-(2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-

Structural Information

Molecular Formula
C9H7ClF5N3O3S
SMILES
CS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)NC(=O)C(F)(F)Cl
InChI
InChI=1S/C9H7ClF5N3O3S/c1-22(20,21)18-6-5(17-7(19)8(10,11)12)2-4(3-16-6)9(13,14)15/h2-3H,1H3,(H,16,18)(H,17,19)
InChIKey
YUXIBNOHDCKQKJ-UHFFFAOYSA-N
Compound name
2-chloro-2,2-difluoro-N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.9817 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.98898 166.4
[M+Na]+ 389.97092 175.6
[M-H]- 365.97442 162.9
[M+NH4]+ 385.01552 178.1
[M+K]+ 405.94486 170.2
[M+H-H2O]+ 349.97896 156.6
[M+HCOO]- 411.97990 172.1
[M+CH3COO]- 425.99555 211.9
[M+Na-2H]- 387.95637 170.2
[M]+ 366.98115 163.8
[M]- 366.98225 163.8
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.