PubChemLite - 42977-21-9 (C20H8F34S2)

Structural Information

Molecular Formula

SMILES

C(CSSCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C20H8F34S2/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-55-56-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2

InChIKey

PFSDZNASIFXROJ-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyldisulfanyl)decane

Related CIDs

2D Structure

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]+	958.95973	240.4
[M+Na]+	980.94167	239.9
[M-H]-	956.94517	247.7
[M+NH4]+	975.98627	250.3
[M+K]+	996.91561	256.9
[M+H-H2O]+	940.94971	227.4
[M+HCOO]-	1002.9507	252.8
[M+CH3COO]-	1016.9663	277.7
[M+Na-2H]-	978.92712	241.1
[M]+	957.95190	238.5
[M]-	957.95300	238.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

958.95973

240.4

[M+Na]+

980.94167

239.9

[M-H]-

956.94517

247.7

[M+NH4]+

975.98627

250.3

[M+K]+

996.91561

256.9

[M+H-H2O]+

940.94971

227.4

[M+HCOO]-

1002.9507

252.8

[M+CH3COO]-

1016.9663

277.7

[M+Na-2H]-

978.92712

241.1

[M]+

957.95190

238.5

[M]-

957.95300

238.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

42977-21-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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