CID 33020

Benzenesulfonic acid, tridecyl-

Structural Information

Molecular Formula
C19H32O3S
SMILES
CCCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C19H32O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(17-15-18)23(20,21)22/h14-17H,2-13H2,1H3,(H,20,21,22)
InChIKey
ANZWOARUBDXLMN-UHFFFAOYSA-N
Compound name
4-tridecylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

0
References

3578
Patents

340.2072 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.21448 184.3
[M+Na]+ 363.19642 188.6
[M-H]- 339.19992 185.1
[M+NH4]+ 358.24102 197.8
[M+K]+ 379.17036 183.0
[M+H-H2O]+ 323.20446 177.1
[M+HCOO]- 385.20540 198.3
[M+CH3COO]- 399.22105 208.4
[M+Na-2H]- 361.18187 183.9
[M]+ 340.20665 190.8
[M]- 340.20775 190.8
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