PubChemLite - Tau-fluvalinate (C26H22ClF3N2O3)

Structural Information

Molecular Formula

SMILES

CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1

InChIKey

INISTDXBRIBGOC-XMMISQBUSA-N

Compound name

[cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate

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]+	503.13438	219.3
[M+Na]+	525.11632	226.4
[M-H]-	501.11982	222.1
[M+NH4]+	520.16092	224.6
[M+K]+	541.09026	218.5
[M+H-H2O]+	485.12436	201.5
[M+HCOO]-	547.12530	226.8
[M+CH3COO]-	561.14095	247.9
[M+Na-2H]-	523.10177	215.3
[M]+	502.12655	214.4
[M]-	502.12765	214.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.13438

219.3

[M+Na]+

525.11632

226.4

[M-H]-

501.11982

222.1

[M+NH4]+

520.16092

224.6

[M+K]+

541.09026

218.5

[M+H-H2O]+

485.12436

201.5

[M+HCOO]-

547.12530

226.8

[M+CH3COO]-

561.14095

247.9

[M+Na-2H]-

523.10177

215.3

[M]+

502.12655

214.4

[M]-

502.12765

214.4

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

Tau-fluvalinate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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