PubChemLite - 3330-16-3 (C11HF23O3)

Structural Information

Molecular Formula

SMILES

C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F

InChI

InChI=1S/C11HF23O3/c12-1(2(13,14)15)35-10(31,32)4(18,7(23,24)25)37-11(33,34)5(19,8(26,27)28)36-9(29,30)3(16,17)6(20,21)22/h1H

InChIKey

QRLOKTBZZPZAMX-UHFFFAOYSA-N

Compound name

1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane

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]+	618.96318	163.1
[M+Na]+	640.94512	163.2
[M+NH4]+	635.98972	163.2
[M+K]+	656.91906	152.7
[M-H]-	616.94862	163.1
[M+Na-2H]-	638.93057	163.6
[M]+	617.95535	163.1
[M]-	617.95645	163.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

618.96318

163.1

[M+Na]+

640.94512

163.2

[M+NH4]+

635.98972

163.2

[M+K]+

656.91906

152.7

[M-H]-

616.94862

163.1

[M+Na-2H]-

638.93057

163.6

[M]+

617.95535

163.1

[M]-

617.95645

163.1

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

3330-16-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe