CID 78995

Hexafluoroglutaric anhydride

Structural Information

Molecular Formula

C₅F₆O₃

SMILES

C1(=O)C(C(C(C(=O)O1)(F)F)(F)F)(F)F

InChI

InChI=1S/C5F6O3/c6-3(7)1(12)14-2(13)4(8,9)5(3,10)11

InChIKey

IHYAGCYJVNHXCT-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5-hexafluorooxane-2,6-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 694
Patents: 221.97516 Da
Monoisotopic Mass: 1.7
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]+	222.98244	125.5
[M+Na]+	244.96438	138.9
[M-H]-	220.96788	123.9
[M+NH4]+	240.00898	148.8
[M+K]+	260.93832	138.4
[M+H-H2O]+	204.97242	118.8
[M+HCOO]-	266.97336	140.8
[M+CH3COO]-	280.98901	185.8
[M+Na-2H]-	242.94983	132.2
[M]+	221.97461	118.9
[M]-	221.97571	118.9

Literature stripe

literature stripe

Patent stripe

patents stripe