PubChemLite - Chlorantraniliprole (C18H14BrCl2N5O2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)Cl

InChI

InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)

InChIKey

PSOVNZZNOMJUBI-UHFFFAOYSA-N

Compound name

5-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)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]+	481.97808	195.1
[M+Na]+	503.96002	207.9
[M-H]-	479.96352	203.9
[M+NH4]+	499.00462	205.9
[M+K]+	519.93396	192.9
[M+H-H2O]+	463.96806	191.6
[M+HCOO]-	525.96900	205.3
[M+CH3COO]-	539.98465	232.2
[M+Na-2H]-	501.94547	195.8
[M]+	480.97025	217.7
[M]-	480.97135	217.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.97808

195.1

[M+Na]+

503.96002

207.9

[M-H]-

479.96352

203.9

[M+NH4]+

499.00462

205.9

[M+K]+

519.93396

192.9

[M+H-H2O]+

463.96806

191.6

[M+HCOO]-

525.96900

205.3

[M+CH3COO]-

539.98465

232.2

[M+Na-2H]-

501.94547

195.8

[M]+

480.97025

217.7

[M]-

480.97135

217.7

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

Chlorantraniliprole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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