CID 76074

Chlorodifluoroacetic anhydride

Structural Information

Molecular Formula

C₄Cl₂F₄O₃

SMILES

C(=O)(C(F)(F)Cl)OC(=O)C(F)(F)Cl

InChI

InChI=1S/C4Cl2F4O3/c5-3(7,8)1(11)13-2(12)4(6,9)10

InChIKey

VBJIFLOSOQGDRZ-UHFFFAOYSA-N

Compound name

(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 749
Patents: 241.91606 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

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]+	242.92334	130.4
[M+Na]+	264.90528	140.8
[M-H]-	240.90878	126.1
[M+NH4]+	259.94988	149.2
[M+K]+	280.87922	137.5
[M+H-H2O]+	224.91332	125.6
[M+HCOO]-	286.91426	137.7
[M+CH3COO]-	300.92991	186.0
[M+Na-2H]-	262.89073	135.1
[M]+	241.91551	129.6
[M]-	241.91661	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe