PubChemLite - Fenhexamid m24 (C28H32Cl4N2O4)

Structural Information

Molecular Formula

SMILES

CC1(CCCCC1)C(=O)NC2=C(C(=C(C(=C2)C3=CC(=C(C(=C3O)Cl)Cl)NC(=O)C4(CCCCC4)C)O)Cl)Cl

InChI

InChI=1S/C28H32Cl4N2O4/c1-27(9-5-3-6-10-27)25(37)33-17-13-15(23(35)21(31)19(17)29)16-14-18(20(30)22(32)24(16)36)34-26(38)28(2)11-7-4-8-12-28/h13-14,35-36H,3-12H2,1-2H3,(H,33,37)(H,34,38)

InChIKey

HGBIVAKLTVOWQD-UHFFFAOYSA-N

Compound name

N-[2,3-dichloro-5-[3,4-dichloro-2-hydroxy-5-[(1-methylcyclohexanecarbonyl)amino]phenyl]-4-hydroxyphenyl]-1-methylcyclohexane-1-carboxamide

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]+	601.11891	226.7
[M+Na]+	623.10085	231.1
[M-H]-	599.10435	232.2
[M+NH4]+	618.14545	233.5
[M+K]+	639.07479	225.3
[M+H-H2O]+	583.10889	221.6
[M+HCOO]-	645.10983	220.1
[M+CH3COO]-	659.12548	253.7
[M+Na-2H]-	621.08630	220.1
[M]+	600.11108	224.9
[M]-	600.11218	224.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

601.11891

226.7

[M+Na]+

623.10085

231.1

[M-H]-

599.10435

232.2

[M+NH4]+

618.14545

233.5

[M+K]+

639.07479

225.3

[M+H-H2O]+

583.10889

221.6

[M+HCOO]-

645.10983

220.1

[M+CH3COO]-

659.12548

253.7

[M+Na-2H]-

621.08630

220.1

[M]+

600.11108

224.9

[M]-

600.11218

224.9

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

Fenhexamid m24

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe