PubChemLite - Cyclaniliprole (C21H17Br2Cl2N5O2)

Structural Information

Molecular Formula

SMILES

CC(C1CC1)NC(=O)C2=C(C(=CC(=C2)Cl)Br)NC(=O)C3=CC(=NN3C4=C(C=CC=N4)Cl)Br

InChI

InChI=1S/C21H17Br2Cl2N5O2/c1-10(11-4-5-11)27-20(31)13-7-12(24)8-14(22)18(13)28-21(32)16-9-17(23)29-30(16)19-15(25)3-2-6-26-19/h2-3,6-11H,4-5H2,1H3,(H,27,31)(H,28,32)

InChIKey

RAMUASXTSSXCMB-UHFFFAOYSA-N

Compound name

5-bromo-N-[2-bromo-4-chloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-2-(3-chloropyridin-2-yl)pyrazole-3-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]+	599.91988	194.3
[M+Na]+	621.90182	191.6
[M+NH4]+	616.94642	195.0
[M+K]+	637.87576	197.7
[M-H]-	597.90532	199.9
[M+Na-2H]-	619.88727	196.9
[M]+	598.91205	195.3
[M]-	598.91315	195.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

599.91988

194.3

[M+Na]+

621.90182

191.6

[M+NH4]+

616.94642

195.0

[M+K]+

637.87576

197.7

[M-H]-

597.90532

199.9

[M+Na-2H]-

619.88727

196.9

[M]+

598.91205

195.3

[M]-

598.91315

195.3

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

Cyclaniliprole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe