CID 170268

Didodecylnaphthalenesulfonic acid

Structural Information

Molecular Formula
C34H56O3S
SMILES
CCCCCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCCCCC)S(=O)(=O)O
InChI
InChI=1S/C34H56O3S/c1-3-5-7-9-11-13-15-17-19-21-25-30-29-31-26-23-24-28-33(31)34(38(35,36)37)32(30)27-22-20-18-16-14-12-10-8-6-4-2/h23-24,26,28-29H,3-22,25,27H2,1-2H3,(H,35,36,37)
InChIKey
IILMIAKZFKOMTK-UHFFFAOYSA-N
Compound name
2,3-didodecylnaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

280
Patents

544.395 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.40228 244.6
[M+Na]+ 567.38422 253.5
[M+NH4]+ 562.42882 249.2
[M+K]+ 583.35816 240.6
[M-H]- 543.38772 245.3
[M+Na-2H]- 565.36967 245.1
[M]+ 544.39445 246.6
[M]- 544.39555 246.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe