CID 67918

Perfluorohexanesulphonyl fluoride

Structural Information

Molecular Formula

C₆F₁₄O₂S

SMILES

C(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C6F14O2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22

InChIKey

HSDJWNJDPDJOEV-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 331
Patents: 401.93954 Da
Monoisotopic Mass: 4.7
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]+	402.94682	167.0
[M+Na]+	424.92876	176.5
[M-H]-	400.93226	152.3
[M+NH4]+	419.97336	157.4
[M+K]+	440.90270	173.2
[M+H-H2O]+	384.93680	152.7
[M+HCOO]-	446.93774	172.2
[M+CH3COO]-	460.95339	216.9
[M+Na-2H]-	422.91421	170.2
[M]+	401.93899	147.9
[M]-	401.94009	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe