CID 3072237

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

Structural Information

Molecular Formula
C14H10F5N3O3S
SMILES
CS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)NC(=O)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C14H10F5N3O3S/c1-26(24,25)22-12-11(5-8(6-20-12)14(17,18)19)21-13(23)7-2-3-9(15)10(16)4-7/h2-6H,1H3,(H,20,22)(H,21,23)
InChIKey
SDJPNIXNIMKLCK-UHFFFAOYSA-N
Compound name
3,4-difluoro-N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.03632 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.04360 180.8
[M+Na]+ 418.02554 190.2
[M-H]- 394.02904 180.4
[M+NH4]+ 413.07014 190.5
[M+K]+ 433.99948 184.2
[M+H-H2O]+ 378.03358 168.4
[M+HCOO]- 440.03452 192.1
[M+CH3COO]- 454.05017 221.0
[M+Na-2H]- 416.01099 182.5
[M]+ 395.03577 177.2
[M]- 395.03687 177.2
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

No patent data available for this compound.