4-oh-bifenthrin (C23H22ClF3O3)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC=C1C2=CC=C(C=C2)O)COC(=O)C3C(C3(C)C)/C=C(/C(F)(F)F)\Cl

InChI

InChI=1S/C23H22ClF3O3/c1-13-15(5-4-6-17(13)14-7-9-16(28)10-8-14)12-30-21(29)20-18(22(20,2)3)11-19(24)23(25,26)27/h4-11,18,20,28H,12H2,1-3H3/b19-11-

InChIKey

SCZTZUIYDBOJNV-ODLFYWEKSA-N

Compound name

[3-(4-hydroxyphenyl)-2-methylphenyl]methyl 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]+	439.128246	186.2
[M+Na]+	461.110188	196.2
[M-H]-	437.113694	191.5
[M+NH4]+	456.154793	193.9
[M+K]+	477.084128	189.4
[M+H-H2O]+	421.118230	177.9
[M+HCOO]-	483.119171	196.6
[M+CH3COO]-	497.134821	227.8
[M+Na-2H]-	459.095636	184.9
[M]+	438.12042142	190.3
[M]-	438.12151858	190.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.128246

186.2

[M+Na]+

461.110188

196.2

[M-H]-

437.113694

191.5

[M+NH4]+

456.154793

193.9

[M+K]+

477.084128

189.4

[M+H-H2O]+

421.118230

177.9

[M+HCOO]-

483.119171

196.6

[M+CH3COO]-

497.134821

227.8

[M+Na-2H]-

459.095636

184.9

[M]+

438.12042142

190.3

[M]-

438.12151858

190.3

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

4-oh-bifenthrin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe