CID 92042092

C16-sas

Structural Information

Molecular Formula
C16H34O3S
SMILES
CCCCCCCCCCC(CCCCC)S(=O)(=O)O
InChI
InChI=1S/C16H34O3S/c1-3-5-7-8-9-10-11-13-15-16(20(17,18)19)14-12-6-4-2/h16H,3-15H2,1-2H3,(H,17,18,19)
InChIKey
QVERVCKBMFECAK-UHFFFAOYSA-N
Compound name
hexadecane-6-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.22287 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.23015 178.3
[M+Na]+ 329.21209 181.3
[M-H]- 305.21559 175.6
[M+NH4]+ 324.25669 193.2
[M+K]+ 345.18603 177.5
[M+H-H2O]+ 289.22013 172.2
[M+HCOO]- 351.22107 190.5
[M+CH3COO]- 365.23672 203.7
[M+Na-2H]- 327.19754 176.2
[M]+ 306.22232 185.3
[M]- 306.22342 185.3
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.