CID 122394099

1574267-61-0

Structural Information

Molecular Formula

C₈H₁₆O₇S

SMILES

C1COCCOS(=O)(=O)OCCOCCO1

InChI

InChI=1S/C8H16O7S/c9-16(10)14-7-5-12-3-1-11-2-4-13-6-8-15-16/h1-8H2

InChIKey

IJWLUNJQHVYRDR-UHFFFAOYSA-N

Compound name

1,3,6,9,12-pentaoxa-2lambda6-thiacyclotetradecane 2,2-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 256.06168 Da
Monoisotopic Mass: -1.0
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]+	257.06896	149.3
[M+Na]+	279.05090	154.2
[M-H]-	255.05440	154.1
[M+NH4]+	274.09550	158.5
[M+K]+	295.02484	161.0
[M+H-H2O]+	239.05894	148.9
[M+HCOO]-	301.05988	159.3
[M+CH3COO]-	315.07553	178.9
[M+Na-2H]-	277.03635	156.5
[M]+	256.06113	148.1
[M]-	256.06223	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe