PubChemLite - Bifenthrin (C23H22ClF3O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC=C1C2=CC=CC=C2)COC(=O)[C@@H]3[C@@H](C3(C)C)/C=C(/C(F)(F)F)\Cl

InChI

InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m0/s1

InChIKey

OMFRMAHOUUJSGP-IRHGGOMRSA-N

Compound name

(2-methyl-3-phenylphenyl)methyl (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate

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]+	423.13332	184.9
[M+Na]+	445.11526	194.6
[M-H]-	421.11876	191.1
[M+NH4]+	440.15986	193.6
[M+K]+	461.08920	188.0
[M+H-H2O]+	405.12330	175.9
[M+HCOO]-	467.12424	196.5
[M+CH3COO]-	481.13989	226.8
[M+Na-2H]-	443.10071	184.2
[M]+	422.12549	188.8
[M]-	422.12659	188.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

423.13332

184.9

[M+Na]+

445.11526

194.6

[M-H]-

421.11876

191.1

[M+NH4]+

440.15986

193.6

[M+K]+

461.08920

188.0

[M+H-H2O]+

405.12330

175.9

[M+HCOO]-

467.12424

196.5

[M+CH3COO]-

481.13989

226.8

[M+Na-2H]-

443.10071

184.2

[M]+

422.12549

188.8

[M]-

422.12659

188.8

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

Bifenthrin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe