CID 79998

1-pentadecanesulfonic acid

Structural Information

Molecular Formula
C15H32O3S
SMILES
CCCCCCCCCCCCCCCS(=O)(=O)O
InChI
InChI=1S/C15H32O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(16,17)18/h2-15H2,1H3,(H,16,17,18)
InChIKey
TWBKZBJAVASNII-UHFFFAOYSA-N
Compound name
pentadecane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2566
Patents

292.2072 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.214476 173.7
[M+Na]+ 315.196418 177.4
[M-H]- 291.199924 171.1
[M+NH4]+ 310.241023 189.2
[M+K]+ 331.170358 173.3
[M+H-H2O]+ 275.204460 167.6
[M+HCOO]- 337.205401 187.2
[M+CH3COO]- 351.221051 200.0
[M+Na-2H]- 313.181866 173.1
[M]+ 292.20665142 180.9
[M]- 292.20774858 180.9
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