CID 108907

Dinonylnaphthalenedisulphonic acid

Structural Information

Molecular Formula
C28H44O6S2
SMILES
CCCCCCCCCC1=C2C(=CC(=CC2=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)CCCCCCCCC
InChI
InChI=1S/C28H44O6S2/c1-3-5-7-9-11-13-15-17-23-19-20-27(36(32,33)34)26-22-25(35(29,30)31)21-24(28(23)26)18-16-14-12-10-8-6-4-2/h19-22H,3-18H2,1-2H3,(H,29,30,31)(H,32,33,34)
InChIKey
XWNWPUWXRCLVEG-UHFFFAOYSA-N
Compound name
4,5-di(nonyl)naphthalene-1,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

183
Patents

540.25793 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.26521 232.5
[M+Na]+ 563.24715 239.6
[M+NH4]+ 558.29175 235.4
[M+K]+ 579.22109 229.6
[M-H]- 539.25065 230.3
[M+Na-2H]- 561.23260 231.9
[M]+ 540.25738 233.7
[M]- 540.25848 233.7
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

patents stripe