CID 134206366

Schembl19811167

Structural Information

Molecular Formula

C₈H₂F₁₆O₃S

SMILES

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

InChI

InChI=1S/C8H2F16O3S/c9-1(28(25,26)27)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1H,(H,25,26,27)

InChIKey

AUKDNQZDSZEYCA-UHFFFAOYSA-N

Compound name

1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 481.94693 Da
Monoisotopic Mass: 4.8
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]+	482.954206	162.5
[M+Na]+	504.936148	166.5
[M-H]-	480.939654	168.8
[M+NH4]+	499.980753	171.5
[M+K]+	520.910088	174.0
[M+H-H2O]+	464.944190	152.0
[M+HCOO]-	526.945131	180.9
[M+CH3COO]-	540.960781	228.1
[M+Na-2H]-	502.921596	161.3
[M]+	481.94638142	163.0
[M]-	481.94747858	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe