PubChemLite - 6-(1-methylethylidene)-5-(triphenylphosphoranylidene)-(perfluoro)-nonan-4-one (C30H21F14OP)

Structural Information

Molecular Formula

SMILES

CC(=C(C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)C

InChI

InChI=1S/C30H21F14OP/c1-18(2)22(25(31,32)27(35,36)29(39,40)41)23(24(45)26(33,34)28(37,38)30(42,43)44)46(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,1-2H3

InChIKey

ILHSDNSKBVJICM-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,7,7,8,8,9,9,9-tetradecafluoro-6-propan-2-ylidene-5-(triphenyl-lambda5-phosphanylidene)nonan-4-one

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]+	695.11794	250.1
[M+Na]+	717.09988	254.4
[M-H]-	693.10338	241.3
[M+NH4]+	712.14448	248.4
[M+K]+	733.07382	246.8
[M+H-H2O]+	677.10792	228.9
[M+HCOO]-	739.10886	246.6
[M+CH3COO]-	753.12451	267.8
[M+Na-2H]-	715.08533	245.4
[M]+	694.11011	228.6
[M]-	694.11121	228.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

695.11794

250.1

[M+Na]+

717.09988

254.4

[M-H]-

693.10338

241.3

[M+NH4]+

712.14448

248.4

[M+K]+

733.07382

246.8

[M+H-H2O]+

677.10792

228.9

[M+HCOO]-

739.10886

246.6

[M+CH3COO]-

753.12451

267.8

[M+Na-2H]-

715.08533

245.4

[M]+

694.11011

228.6

[M]-

694.11121

228.6

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

6-(1-methylethylidene)-5-(triphenylphosphoranylidene)-(perfluoro)-nonan-4-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe