CID 71351062

156125-36-9

Structural Information

Molecular Formula

C₁₁H₂₅O₃PS

SMILES

C(CCCCCP(=O)(O)O)CCCCCS

InChI

InChI=1S/C11H25O3PS/c12-15(13,14)10-8-6-4-2-1-3-5-7-9-11-16/h16H,1-11H2,(H2,12,13,14)

InChIKey

VXLGFBKKMPMGST-UHFFFAOYSA-N

Compound name

11-sulfanylundecylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 250
Patents: 268.1262 Da
Monoisotopic Mass: 2.8
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]+	269.13348	166.7
[M+Na]+	291.11542	170.7
[M-H]-	267.11892	162.1
[M+NH4]+	286.16002	183.0
[M+K]+	307.08936	167.2
[M+H-H2O]+	251.12346	158.8
[M+HCOO]-	313.12440	185.3
[M+CH3COO]-	327.14005	193.2
[M+Na-2H]-	289.10087	164.3
[M]+	268.12565	172.5
[M]-	268.12675	172.5

Literature stripe

literature stripe

Patent stripe

patents stripe