CID 34219

4-tetradecylbenzenesulfonic acid

Structural Information

Molecular Formula
C20H34O3S
SMILES
CCCCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C20H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)24(21,22)23/h15-18H,2-14H2,1H3,(H,21,22,23)
InChIKey
IIMOXQJFSQSOMN-UHFFFAOYSA-N
Compound name
4-tetradecylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

52
References

681
Patents

354.22287 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.230146 188.6
[M+Na]+ 377.212088 192.4
[M-H]- 353.215594 189.2
[M+NH4]+ 372.256693 201.6
[M+K]+ 393.186028 186.7
[M+H-H2O]+ 337.220130 181.2
[M+HCOO]- 399.221071 202.2
[M+CH3COO]- 413.236721 211.4
[M+Na-2H]- 375.197536 187.8
[M]+ 354.22232142 195.5
[M]- 354.22341858 195.5
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