CID 3023363

94030-90-7

Structural Information

Molecular Formula
C18H30O4S
SMILES
CCCCCCCCCCCCOC1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C18H30O4S/c1-2-3-4-5-6-7-8-9-10-11-16-22-17-12-14-18(15-13-17)23(19,20)21/h12-15H,2-11,16H2,1H3,(H,19,20,21)
InChIKey
LPBHEEOWQHTNFL-UHFFFAOYSA-N
Compound name
4-dodecoxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

46
Patents

342.1865 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.19378 183.2
[M+Na]+ 365.17572 187.7
[M-H]- 341.17922 184.2
[M+NH4]+ 360.22032 196.5
[M+K]+ 381.14966 182.9
[M+H-H2O]+ 325.18376 176.0
[M+HCOO]- 387.18470 197.7
[M+CH3COO]- 401.20035 207.4
[M+Na-2H]- 363.16117 183.5
[M]+ 342.18595 190.8
[M]- 342.18705 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