Me-pfsas(n6) (C10HF21O4S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C10HF21O4S/c11-1(6(20,21)22,7(23,24)25)8(26,27)35-9(28,29)4(16,17)2(12,13)3(14,15)5(18,19)10(30,31)36(32,33)34/h(H,32,33,34)

InChIKey

LVVKCQPZFSPSGL-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]hexane-1-sulfonic acid

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]+	616.933276	179.0
[M+Na]+	638.915218	180.9
[M-H]-	614.918724	188.8
[M+NH4]+	633.959823	189.9
[M+K]+	654.889158	192.7
[M+H-H2O]+	598.923260	165.4
[M+HCOO]-	660.924201	198.2
[M+CH3COO]-	674.939851	246.3
[M+Na-2H]-	636.900666	178.5
[M]+	615.92545142	180.2
[M]-	615.92654858	180.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

616.933276

179.0

[M+Na]+

638.915218

180.9

[M-H]-

614.918724

188.8

[M+NH4]+

633.959823

189.9

[M+K]+

654.889158

192.7

[M+H-H2O]+

598.923260

165.4

[M+HCOO]-

660.924201

198.2

[M+CH3COO]-

674.939851

246.3

[M+Na-2H]-

636.900666

178.5

[M]+

615.92545142

180.2

[M]-

615.92654858

180.2

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

Me-pfsas(n6)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe