CID 201535

Brn 0567805

Structural Information

Molecular Formula
C12H11F3N4O2S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C(F)(F)F
InChI
InChI=1S/C12H11F3N4O2S/c1-7-6-10(12(13,14)15)18-11(17-7)19-22(20,21)9-4-2-8(16)3-5-9/h2-6H,16H2,1H3,(H,17,18,19)
InChIKey
MORBHZDMGNIESM-UHFFFAOYSA-N
Compound name
4-amino-N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.05548 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.06276 170.0
[M+Na]+ 355.04470 179.7
[M-H]- 331.04820 170.5
[M+NH4]+ 350.08930 180.8
[M+K]+ 371.01864 173.6
[M+H-H2O]+ 315.05274 159.1
[M+HCOO]- 377.05368 182.9
[M+CH3COO]- 391.06933 208.9
[M+Na-2H]- 353.03015 174.2
[M]+ 332.05493 167.1
[M]- 332.05603 167.1
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.