PubChemLite - Dfvodfpo-cf2-2txdfp (C22H16F8O5)

Structural Information

Molecular Formula

SMILES

CCC12COC(OC1)(OC2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)OC=C(F)F)F)(F)F)F

InChI

InChI=1S/C22H16F8O5/c1-2-20-8-32-22(33-9-20,34-10-20)11-3-13(23)18(14(24)4-11)21(29,30)35-12-5-15(25)19(16(26)6-12)31-7-17(27)28/h3-7H,2,8-10H2,1H3

InChIKey

GZNFNEOEBWGZAN-UHFFFAOYSA-N

Compound name

1-[4-[[4-(2,2-difluoroethenoxy)-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-4-ethyl-2,6,7-trioxabicyclo[2.2.2]octane

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]+	513.09428	220.5
[M+Na]+	535.07622	229.4
[M-H]-	511.07972	216.1
[M+NH4]+	530.12082	231.0
[M+K]+	551.05016	227.2
[M+H-H2O]+	495.08426	204.6
[M+HCOO]-	557.08520	217.8
[M+CH3COO]-	571.10085	244.4
[M+Na-2H]-	533.06167	224.4
[M]+	512.08645	219.5
[M]-	512.08755	219.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.09428

220.5

[M+Na]+

535.07622

229.4

[M-H]-

511.07972

216.1

[M+NH4]+

530.12082

231.0

[M+K]+

551.05016

227.2

[M+H-H2O]+

495.08426

204.6

[M+HCOO]-

557.08520

217.8

[M+CH3COO]-

571.10085

244.4

[M+Na-2H]-

533.06167

224.4

[M]+

512.08645

219.5

[M]-

512.08755

219.5

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

Dfvodfpo-cf2-2txdfp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe