PubChemLite - Tetraniliprole (C22H16ClF3N10O2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)CN4N=C(N=N4)C(F)(F)F)C(=O)NC)C#N

InChI

InChI=1S/C22H16ClF3N10O2/c1-11-6-12(9-27)7-14(19(37)28-2)17(11)30-20(38)16-8-13(10-35-33-21(31-34-35)22(24,25)26)32-36(16)18-15(23)4-3-5-29-18/h3-8H,10H2,1-2H3,(H,28,37)(H,30,38)

InChIKey

KNDVJPKNBVIKML-UHFFFAOYSA-N

Compound name

2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]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]+	545.11708	213.8
[M+Na]+	567.09902	223.2
[M-H]-	543.10252	212.6
[M+NH4]+	562.14362	211.6
[M+K]+	583.07296	215.3
[M+H-H2O]+	527.10706	191.2
[M+HCOO]-	589.10800	218.8
[M+CH3COO]-	603.12365	217.0
[M+Na-2H]-	565.08447	210.6
[M]+	544.10925	209.9
[M]-	544.11035	209.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

545.11708

213.8

[M+Na]+

567.09902

223.2

[M-H]-

543.10252

212.6

[M+NH4]+

562.14362

211.6

[M+K]+

583.07296

215.3

[M+H-H2O]+

527.10706

191.2

[M+HCOO]-

589.10800

218.8

[M+CH3COO]-

603.12365

217.0

[M+Na-2H]-

565.08447

210.6

[M]+

544.10925

209.9

[M]-

544.11035

209.9

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

Tetraniliprole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe