CID 2775843

Octafluoroadipoyl chloride

Structural Information

Molecular Formula

C₆Cl₂F₈O₂

SMILES

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

InChI

InChI=1S/C6Cl2F8O2/c7-1(17)3(9,10)5(13,14)6(15,16)4(11,12)2(8)18

InChIKey

NGSYNEZFBAPQFK-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5-octafluorohexanedioyl dichloride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 44
Patents: 325.91476 Da
Monoisotopic Mass: 4.0
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]+	326.92204	143.7
[M+Na]+	348.90398	154.2
[M-H]-	324.90748	135.0
[M+NH4]+	343.94858	158.7
[M+K]+	364.87792	149.3
[M+H-H2O]+	308.91202	135.8
[M+HCOO]-	370.91296	143.3
[M+CH3COO]-	384.92861	203.6
[M+Na-2H]-	346.88943	147.3
[M]+	325.91421	135.9
[M]-	325.91531	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe