CID 2774048

Difluoroacetic anhydride

Structural Information

Molecular Formula

C₄H₂F₄O₃

SMILES

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

InChI

InChI=1S/C4H2F4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H

InChIKey

IYXUFOCLMOXQSL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3812
Patents: 173.994 Da
Monoisotopic Mass: 1.6
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]+	175.00128	125.6
[M+Na]+	196.98322	133.6
[M-H]-	172.98672	121.0
[M+NH4]+	192.02782	145.3
[M+K]+	212.95716	134.2
[M+H-H2O]+	156.99126	117.7
[M+HCOO]-	218.99220	143.0
[M+CH3COO]-	233.00785	178.6
[M+Na-2H]-	194.96867	126.6
[M]+	173.99345	121.4
[M]-	173.99455	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe