CID 173828

61702-92-9

Structural Information

Molecular Formula
C20H28O3S
SMILES
CCCCCC1=CC2=CC=CC=C2C(=C1CCCCC)S(=O)(=O)O
InChI
InChI=1S/C20H28O3S/c1-3-5-7-11-16-15-17-12-9-10-14-19(17)20(24(21,22)23)18(16)13-8-6-4-2/h9-10,12,14-15H,3-8,11,13H2,1-2H3,(H,21,22,23)
InChIKey
ZHCSPYKWNQONPB-UHFFFAOYSA-N
Compound name
2,3-dipentylnaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

523
Patents

348.1759 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.18318 184.5
[M+Na]+ 371.16512 196.5
[M+NH4]+ 366.20972 191.7
[M+K]+ 387.13906 186.7
[M-H]- 347.16862 185.9
[M+Na-2H]- 369.15057 188.5
[M]+ 348.17535 187.2
[M]- 348.17645 187.2
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