CID 101972111

C18-sas

Structural Information

Molecular Formula
C18H38O3S
SMILES
CCCCCCCCCCC(CCCCCCC)S(=O)(=O)O
InChI
InChI=1S/C18H38O3S/c1-3-5-7-9-10-11-13-15-17-18(22(19,20)21)16-14-12-8-6-4-2/h18H,3-17H2,1-2H3,(H,19,20,21)
InChIKey
YOXNJPLWSLWLQI-UHFFFAOYSA-N
Compound name
octadecane-8-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.25418 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.26146 187.0
[M+Na]+ 357.24340 189.0
[M-H]- 333.24690 183.8
[M+NH4]+ 352.28800 200.6
[M+K]+ 373.21734 184.7
[M+H-H2O]+ 317.25144 180.4
[M+HCOO]- 379.25238 198.4
[M+CH3COO]- 393.26803 209.6
[M+Na-2H]- 355.22885 183.9
[M]+ 334.25363 194.7
[M]- 334.25473 194.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.