PubChemLite - Flubendiamide (C23H22F7IN2O4S)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C

InChI

InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)

InChIKey

ZGNITFSDLCMLGI-UHFFFAOYSA-N

Compound name

1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-N-(2-methyl-1-methylsulfonylpropan-2-yl)benzene-1,2-dicarboxamide

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]+	683.03058	231.1
[M+Na]+	705.01252	227.6
[M+NH4]+	700.05712	227.0
[M+K]+	720.98646	225.8
[M-H]-	681.01602	220.5
[M+Na-2H]-	702.99797	221.7
[M]+	682.02275	226.8
[M]-	682.02385	226.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

683.03058

231.1

[M+Na]+

705.01252

227.6

[M+NH4]+

700.05712

227.0

[M+K]+

720.98646

225.8

[M-H]-

681.01602

220.5

[M+Na-2H]-

702.99797

221.7

[M]+

682.02275

226.8

[M]-

682.02385

226.8

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

Flubendiamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe