PubChemLite - Sr1001 (C15H13F6N3O4S2)

Structural Information

Molecular Formula

SMILES

CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O

InChI

InChI=1S/C15H13F6N3O4S2/c1-7-11(29-12(22-7)23-8(2)25)30(27,28)24-10-5-3-9(4-6-10)13(26,14(16,17)18)15(19,20)21/h3-6,24,26H,1-2H3,(H,22,23,25)

InChIKey

OZBSSKGBKHOLGA-UHFFFAOYSA-N

Compound name

N-[5-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	478.03246	195.6
[M+Na]+	500.01440	202.5
[M-H]-	476.01790	191.9
[M+NH4]+	495.05900	202.9
[M+K]+	515.98834	196.4
[M+H-H2O]+	460.02244	184.4
[M+HCOO]-	522.02338	197.0
[M+CH3COO]-	536.03903	229.1
[M+Na-2H]-	497.99985	197.7
[M]+	477.02463	190.9
[M]-	477.02573	190.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

478.03246

195.6

[M+Na]+

500.01440

202.5

[M-H]-

476.01790

191.9

[M+NH4]+

495.05900

202.9

[M+K]+

515.98834

196.4

[M+H-H2O]+

460.02244

184.4

[M+HCOO]-

522.02338

197.0

[M+CH3COO]-

536.03903

229.1

[M+Na-2H]-

497.99985

197.7

[M]+

477.02463

190.9

[M]-

477.02573

190.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Sr1001

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe