CID 101972075

C15-sas

Structural Information

Molecular Formula
C15H32O3S
SMILES
CCCCCCCCCCC(CCCC)S(=O)(=O)O
InChI
InChI=1S/C15H32O3S/c1-3-5-7-8-9-10-11-12-14-15(13-6-4-2)19(16,17)18/h15H,3-14H2,1-2H3,(H,16,17,18)
InChIKey
PSHQOLNJGLLTDT-UHFFFAOYSA-N
Compound name
pentadecane-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2072 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.21448 174.0
[M+Na]+ 315.19642 177.4
[M-H]- 291.19992 171.4
[M+NH4]+ 310.24102 189.4
[M+K]+ 331.17036 173.8
[M+H-H2O]+ 275.20446 168.0
[M+HCOO]- 337.20540 186.4
[M+CH3COO]- 351.22105 200.7
[M+Na-2H]- 313.18187 172.3
[M]+ 292.20665 180.6
[M]- 292.20775 180.6
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.