CID 66281

1-octadecanesulfonyl chloride

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

117
Patents

352.22028 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22756 190.6
[M+Na]+ 375.20950 198.5
[M+NH4]+ 370.25410 196.5
[M+K]+ 391.18344 188.0
[M-H]- 351.21300 188.7
[M+Na-2H]- 373.19495 190.4
[M]+ 352.21973 191.7
[M]- 352.22083 191.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe