CID 13628923

2-tetradecylbenzenesulfonic acid

Structural Information

Molecular Formula
C20H34O3S
SMILES
CCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O
InChI
InChI=1S/C20H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)24(21,22)23/h14-15,17-18H,2-13,16H2,1H3,(H,21,22,23)
InChIKey
UNYKBGSYYHWZCB-UHFFFAOYSA-N
Compound name
2-tetradecylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3009
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

literature stripe

Patent stripe

patents stripe