CID 3572

Hexadecane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C16H33FO2S
SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)F
InChI
InChI=1S/C16H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3
InChIKey
QIVFMUVBIHIZAM-UHFFFAOYSA-N
Compound name
hexadecane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

242
Patents

308.21854 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.22582 176.7
[M+Na]+ 331.20776 180.6
[M-H]- 307.21126 174.0
[M+NH4]+ 326.25236 192.3
[M+K]+ 347.18170 176.3
[M+H-H2O]+ 291.21580 169.4
[M+HCOO]- 353.21674 190.1
[M+CH3COO]- 367.23239 206.4
[M+Na-2H]- 329.19321 175.4
[M]+ 308.21799 183.7
[M]- 308.21909 183.7
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