PubChemLite - Schembl5627313 (C23H17ClFN3O5S)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)C#N)F

InChI

InChI=1S/C23H17ClFN3O5S/c1-13-6-18(34(27,31)32)3-4-20(13)28-22(29)12-33-21-5-2-16(24)10-19(21)23(30)15-7-14(11-26)8-17(25)9-15/h2-10H,12H2,1H3,(H,28,29)(H2,27,31,32)

InChIKey

ZGZFZFIQCUTAOK-UHFFFAOYSA-N

Compound name

2-[4-chloro-2-(3-cyano-5-fluorobenzoyl)phenoxy]-N-(2-methyl-4-sulfamoylphenyl)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]+	502.06343	226.8
[M+Na]+	524.04537	236.5
[M-H]-	500.04887	233.3
[M+NH4]+	519.08997	232.7
[M+K]+	540.01931	229.4
[M+H-H2O]+	484.05341	211.3
[M+HCOO]-	546.05435	234.8
[M+CH3COO]-	560.07000	247.6
[M+Na-2H]-	522.03082	223.5
[M]+	501.05560	226.0
[M]-	501.05670	226.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

502.06343

226.8

[M+Na]+

524.04537

236.5

[M-H]-

500.04887

233.3

[M+NH4]+

519.08997

232.7

[M+K]+

540.01931

229.4

[M+H-H2O]+

484.05341

211.3

[M+HCOO]-

546.05435

234.8

[M+CH3COO]-

560.07000

247.6

[M+Na-2H]-

522.03082

223.5

[M]+

501.05560

226.0

[M]-

501.05670

226.0

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

Schembl5627313

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe