CID 35460

Tetradecylbenzenesulfonic acid

Structural Information

Molecular Formula
C20H34O3S
SMILES
CCCCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O
InChI
InChI=1S/C20H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-16-14-17-20(18-19)24(21,22)23/h14,16-18H,2-13,15H2,1H3,(H,21,22,23)
InChIKey
UDTHXSLCACXSKA-UHFFFAOYSA-N
Compound name
3-tetradecylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

954
Patents

354.22287 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.23015 188.6
[M+Na]+ 377.21209 192.4
[M-H]- 353.21559 189.2
[M+NH4]+ 372.25669 201.6
[M+K]+ 393.18603 186.7
[M+H-H2O]+ 337.22013 181.2
[M+HCOO]- 399.22107 202.2
[M+CH3COO]- 413.23672 211.4
[M+Na-2H]- 375.19754 187.8
[M]+ 354.22232 195.5
[M]- 354.22342 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