CID 66281

10147-41-8

Structural Information

Molecular Formula

C₁₈H₃₇ClO₂S

SMILES

CCCCCCCCCCCCCCCCCCS(=O)(=O)Cl

InChI

InChI=1S/C18H37ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3

InChIKey

VDRWNKIQBYUKGD-UHFFFAOYSA-N

Compound name

octadecane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 137
Patents: 352.22028 Da
Monoisotopic Mass: 9.2
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]+	353.22756	188.7
[M+Na]+	375.20950	192.4
[M-H]-	351.21300	187.2
[M+NH4]+	370.25410	203.5
[M+K]+	391.18344	186.0
[M+H-H2O]+	335.21754	183.0
[M+HCOO]-	397.21848	198.1
[M+CH3COO]-	411.23413	213.2
[M+Na-2H]-	373.19495	186.6
[M]+	352.21973	199.2
[M]-	352.22083	199.2

Literature stripe

literature stripe

Patent stripe

patents stripe