CID 25966

Acrosacmxzhqqh-uhfffaoysa-n

Structural Information

Molecular Formula
C20H34O3S
SMILES
CCCCCCCCCCCCC(C)C1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C20H34O3S/c1-3-4-5-6-7-8-9-10-11-12-13-18(2)19-14-16-20(17-15-19)24(21,22)23/h14-18H,3-13H2,1-2H3,(H,21,22,23)
InChIKey
ACROSACMXZHQQH-UHFFFAOYSA-N
Compound name
4-tetradecan-2-ylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.22287 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.230146 188.7
[M+Na]+ 377.212088 192.2
[M-H]- 353.215594 189.4
[M+NH4]+ 372.256693 201.6
[M+K]+ 393.186028 187.0
[M+H-H2O]+ 337.220130 181.5
[M+HCOO]- 399.221071 201.3
[M+CH3COO]- 413.236721 212.2
[M+Na-2H]- 375.197536 186.8
[M]+ 354.22232142 195.0
[M]- 354.22341858 195.0
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.