CID 10981166

Sodium dodecanoyloxybenzenesulfonate

Structural Information

Molecular Formula
C18H28O5S
SMILES
CCCCCCCCCCCC(=O)OC1=CC=CC=C1S(=O)(=O)O
InChI
InChI=1S/C18H28O5S/c1-2-3-4-5-6-7-8-9-10-15-18(19)23-16-13-11-12-14-17(16)24(20,21)22/h11-14H,2-10,15H2,1H3,(H,20,21,22)
InChIKey
ZDKYIHHSXJTDKX-UHFFFAOYSA-N
Compound name
2-dodecanoyloxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2643
Patents

356.16574 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.17302 185.8
[M+Na]+ 379.15496 194.1
[M+NH4]+ 374.19956 190.3
[M+K]+ 395.12890 186.8
[M-H]- 355.15846 184.3
[M+Na-2H]- 377.14041 187.7
[M]+ 356.16519 186.7
[M]- 356.16629 186.7
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