CID 139594525

Dicl-pflsa c8

Structural Information

Molecular Formula

C₈HCl₂F₁₅O₃S

SMILES

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

InChI

InChI=1S/C8HCl2F15O3S/c9-1(11,3(13,14)5(17,18)2(10,12)7(21,22)23)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)

InChIKey

CGODWUGSMMVSOB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 531.8784 Da
Monoisotopic Mass: 5.5
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]+	532.885676	164.9
[M+Na]+	554.867618	168.9
[M-H]-	530.871124	173.0
[M+NH4]+	549.912223	174.7
[M+K]+	570.841558	177.7
[M+H-H2O]+	514.875660	168.3
[M+HCOO]-	576.876601	186.3
[M+CH3COO]-	590.892251	231.8
[M+Na-2H]-	552.853066	186.6
[M]+	531.87785142	172.0
[M]-	531.87894858	172.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.