CID 110051

Decafluoro(trifluoromethyl)cyclohexanesulfonyl fluoride

Structural Information

Molecular Formula

C₇F₁₄O₂S

SMILES

C1(C(C(C(C(C1(F)S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F

InChI

InChI=1S/C7F14O2S/c8-1(7(18,19)20)2(9,10)3(11,12)4(13,14)5(15,16)6(1,17)24(21,22)23

InChIKey

SLYWOXPMQGKVAU-UHFFFAOYSA-N

Compound name

1,2,2,3,3,4,4,5,5,6-decafluoro-6-(trifluoromethyl)cyclohexane-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1
Patents: 413.93954 Da
Monoisotopic Mass: 4.3
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]+	414.946816	149.3
[M+Na]+	436.928758	164.6
[M-H]-	412.932264	138.6
[M+NH4]+	431.973363	170.3
[M+K]+	452.902698	161.3
[M+H-H2O]+	396.936800	140.7
[M+HCOO]-	458.937741	148.6
[M+CH3COO]-	472.953391	218.1
[M+Na-2H]-	434.914206	154.7
[M]+	413.93899142	135.1
[M]-	413.94008858	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe