CID 3072214

Benzamide, 4-fluoro-n-(2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-

Structural Information

Molecular Formula
C14H11F4N3O3S
SMILES
CS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)NC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H11F4N3O3S/c1-25(23,24)21-12-11(6-9(7-19-12)14(16,17)18)20-13(22)8-2-4-10(15)5-3-8/h2-7H,1H3,(H,19,21)(H,20,22)
InChIKey
OXNVUDNVKDMBBJ-UHFFFAOYSA-N
Compound name
4-fluoro-N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

377.04572 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.05300 178.1
[M+Na]+ 400.03494 186.6
[M-H]- 376.03844 178.7
[M+NH4]+ 395.07954 188.3
[M+K]+ 416.00888 181.0
[M+H-H2O]+ 360.04298 166.4
[M+HCOO]- 422.04392 190.5
[M+CH3COO]- 436.05957 217.0
[M+Na-2H]- 398.02039 181.0
[M]+ 377.04517 175.2
[M]- 377.04627 175.2
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

patents stripe