CID 14227602

C14-sas (tentative)

Structural Information

Molecular Formula

C₁₄H₃₀O₃S

SMILES

CCCCCCCC(CCCCCC)S(=O)(=O)O

InChI

InChI=1S/C14H30O3S/c1-3-5-7-9-11-13-14(18(15,16)17)12-10-8-6-4-2/h14H,3-13H2,1-2H3,(H,15,16,17)

InChIKey

MZBFYGYTZIZFQC-UHFFFAOYSA-N

Compound name

tetradecane-7-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 278.19156 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]+	279.19884	169.6
[M+Na]+	301.18078	173.4
[M-H]-	277.18428	167.3
[M+NH4]+	296.22538	185.6
[M+K]+	317.15472	170.1
[M+H-H2O]+	261.18882	163.8
[M+HCOO]-	323.18976	182.4
[M+CH3COO]-	337.20541	197.7
[M+Na-2H]-	299.16623	168.4
[M]+	278.19101	175.8
[M]-	278.19211	175.8

Literature stripe

literature stripe

Patent stripe

patents stripe