Mopflsa n=7 (C11HF23O5S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C11HF23O5S/c12-1(13,3(16,17)5(20,21)11(33,34)40(35,36)37)2(14,15)4(18,19)7(25,26)38-9(29,30)10(31,32)39-8(27,28)6(22,23)24/h(H,35,36,37)

InChIKey

YBJQDBPPOQBFQK-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]heptane-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]+	682.924976	187.8
[M+Na]+	704.906918	188.8
[M-H]-	680.910424	198.8
[M+NH4]+	699.951523	199.8
[M+K]+	720.880858	202.0
[M+H-H2O]+	664.914960	173.7
[M+HCOO]-	726.915901	206.1
[M+CH3COO]-	740.931551	254.3
[M+Na-2H]-	702.892366	187.5
[M]+	681.91715142	189.2
[M]-	681.91824858	189.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

682.924976

187.8

[M+Na]+

704.906918

188.8

[M-H]-

680.910424

198.8

[M+NH4]+

699.951523

199.8

[M+K]+

720.880858

202.0

[M+H-H2O]+

664.914960

173.7

[M+HCOO]-

726.915901

206.1

[M+CH3COO]-

740.931551

254.3

[M+Na-2H]-

702.892366

187.5

[M]+

681.91715142

189.2

[M]-

681.91824858

189.2

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

Mopflsa n=7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe