CID 415021

1-hydroxyhexadecane-1-sulfonic acid sodium salt

Structural Information

Molecular Formula
C16H34O4S
SMILES
CCCCCCCCCCCCCCCC(O)S(=O)(=O)O
InChI
InChI=1S/C16H34O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)21(18,19)20/h16-17H,2-15H2,1H3,(H,18,19,20)
InChIKey
ZVMPSYSRUJVRMP-UHFFFAOYSA-N
Compound name
1-hydroxyhexadecane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

322.21777 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.22505 181.4
[M+Na]+ 345.20699 183.7
[M-H]- 321.21049 177.1
[M+NH4]+ 340.25159 194.7
[M+K]+ 361.18093 179.5
[M+H-H2O]+ 305.21503 175.2
[M+HCOO]- 367.21597 192.3
[M+CH3COO]- 381.23162 203.1
[M+Na-2H]- 343.19244 179.0
[M]+ 322.21722 187.9
[M]- 322.21832 187.9
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

patents stripe