CID 49903

Naphthalenesulfonic acid, dinonyl-, ammonium salt

Structural Information

Molecular Formula
C28H44O3S
SMILES
CCCCCCCCCC1=CC2=C(C=C1)C(=CC(=C2)CCCCCCCCC)S(=O)(=O)O
InChI
InChI=1S/C28H44O3S/c1-3-5-7-9-11-13-15-17-24-19-20-27-26(21-24)22-25(23-28(27)32(29,30)31)18-16-14-12-10-8-6-4-2/h19-23H,3-18H2,1-2H3,(H,29,30,31)
InChIKey
WOJDFUWWKJARLI-UHFFFAOYSA-N
Compound name
3,6-di(nonyl)naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

363
Patents

460.30112 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.30840 219.1
[M+Na]+ 483.29034 229.3
[M+NH4]+ 478.33494 224.8
[M+K]+ 499.26428 217.7
[M-H]- 459.29384 220.1
[M+Na-2H]- 481.27579 221.1
[M]+ 460.30057 221.4
[M]- 460.30167 221.4
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