PubChemLite - 74038-37-2 (C26H16ClF6O4P)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC(=C1)OP(=O)(C2=CC=C(C=C2)OC3=CC(=CC=C3)Cl)OC4=CC=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C26H16ClF6O4P/c27-19-6-3-7-21(16-19)35-20-10-12-24(13-11-20)38(34,36-22-8-1-4-17(14-22)25(28,29)30)37-23-9-2-5-18(15-23)26(31,32)33/h1-16H

InChIKey

SBYIOZQTHLMHCK-UHFFFAOYSA-N

Compound name

1-[[4-(3-chlorophenoxy)phenyl]-[3-(trifluoromethyl)phenoxy]phosphoryl]oxy-3-(trifluoromethyl)benzene

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]+	573.04518	230.9
[M+Na]+	595.02712	239.5
[M-H]-	571.03062	234.8
[M+NH4]+	590.07172	235.1
[M+K]+	611.00106	232.2
[M+H-H2O]+	555.03516	212.3
[M+HCOO]-	617.03610	242.9
[M+CH3COO]-	631.05175	247.5
[M+Na-2H]-	593.01257	229.6
[M]+	572.03735	229.8
[M]-	572.03845	229.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

573.04518

230.9

[M+Na]+

595.02712

239.5

[M-H]-

571.03062

234.8

[M+NH4]+

590.07172

235.1

[M+K]+

611.00106

232.2

[M+H-H2O]+

555.03516

212.3

[M+HCOO]-

617.03610

242.9

[M+CH3COO]-

631.05175

247.5

[M+Na-2H]-

593.01257

229.6

[M]+

572.03735

229.8

[M]-

572.03845

229.8

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

74038-37-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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