PubChemLite - Dfvodfpo-cf2-3txdfp (C23H18F8O5)

Structural Information

Molecular Formula

SMILES

CCCC12COC(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/C23H18F8O5/c1-2-3-21-9-33-23(34-10-21,35-11-21)12-4-14(24)19(15(25)5-12)22(30,31)36-13-6-16(26)20(17(27)7-13)32-8-18(28)29/h4-8H,2-3,9-11H2,1H3

InChIKey

NULAHRCMYLJQJO-UHFFFAOYSA-N

Compound name

1-[4-[[4-(2,2-difluoroethenoxy)-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-4-propyl-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]+	527.10994	225.1
[M+Na]+	549.09188	233.6
[M-H]-	525.09538	220.5
[M+NH4]+	544.13648	235.0
[M+K]+	565.06582	231.2
[M+H-H2O]+	509.09992	209.1
[M+HCOO]-	571.10086	222.1
[M+CH3COO]-	585.11651	247.1
[M+Na-2H]-	547.07733	228.5
[M]+	526.10211	224.4
[M]-	526.10321	224.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

527.10994

225.1

[M+Na]+

549.09188

233.6

[M-H]-

525.09538

220.5

[M+NH4]+

544.13648

235.0

[M+K]+

565.06582

231.2

[M+H-H2O]+

509.09992

209.1

[M+HCOO]-

571.10086

222.1

[M+CH3COO]-

585.11651

247.1

[M+Na-2H]-

547.07733

228.5

[M]+

526.10211

224.4

[M]-

526.10321

224.4

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

Dfvodfpo-cf2-3txdfp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe