CID 16077470

2-naphthalenesulfonic acid, 5,5'-(2-cyclotetradecylethenylidene)bis-

Structural Information

Molecular Formula
C36H42O6S2
SMILES
C1CCCCCCC(CCCCCC1)C=C(C2=CC=CC3=C2C=CC(=C3)S(=O)(=O)O)C4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O
InChI
InChI=1S/C36H42O6S2/c37-43(38,39)30-20-22-32-28(25-30)16-12-18-34(32)36(24-27-14-10-8-6-4-2-1-3-5-7-9-11-15-27)35-19-13-17-29-26-31(44(40,41)42)21-23-33(29)35/h12-13,16-27H,1-11,14-15H2,(H,37,38,39)(H,40,41,42)
InChIKey
ZMHNYJRTGXXTGU-UHFFFAOYSA-N
Compound name
5-[2-cyclotetradecyl-1-(6-sulfonaphthalen-1-yl)ethenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

634.2423 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.24958 239.3
[M+Na]+ 657.23152 238.9
[M-H]- 633.23502 242.1
[M+NH4]+ 652.27612 237.3
[M+K]+ 673.20546 233.4
[M+H-H2O]+ 617.23956 234.5
[M+HCOO]- 679.24050 236.2
[M+CH3COO]- 693.25615 240.0
[M+Na-2H]- 655.21697 240.5
[M]+ 634.24175 232.1
[M]- 634.24285 232.1
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.