CID 14941615

Benzenesulfonic acid, c10-13-alkyl derivs., sodium salts(mixtures)

Structural Information

Molecular Formula
C16H26O3S
SMILES
CCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O
InChI
InChI=1S/C16H26O3S/c1-2-3-4-5-6-7-8-9-11-15-12-10-13-16(14-15)20(17,18)19/h10,12-14H,2-9,11H2,1H3,(H,17,18,19)
InChIKey
CBUSSYPZQGWJAD-UHFFFAOYSA-N
Compound name
3-decylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

298.16028 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.167556 171.3
[M+Na]+ 321.149498 176.8
[M-H]- 297.153004 172.7
[M+NH4]+ 316.194103 186.5
[M+K]+ 337.123438 172.0
[M+H-H2O]+ 281.157540 164.7
[M+HCOO]- 343.158481 186.2
[M+CH3COO]- 357.174131 199.5
[M+Na-2H]- 319.134946 172.3
[M]+ 298.15973142 176.7
[M]- 298.16082858 176.7
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.