CID 109128

Naphthalenesulfonic acid, dipentyl-

Structural Information

Molecular Formula
C20H28O3S
SMILES
CC(C)CCC1=C2C(=CC=C(C2=CC=C1)S(=O)(=O)O)CCC(C)C
InChI
InChI=1S/C20H28O3S/c1-14(2)8-10-16-6-5-7-18-19(24(21,22)23)13-12-17(20(16)18)11-9-15(3)4/h5-7,12-15H,8-11H2,1-4H3,(H,21,22,23)
InChIKey
DFAQYSMANFEAHX-UHFFFAOYSA-N
Compound name
4,5-bis(3-methylbutyl)naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1759 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.18318 183.5
[M+Na]+ 371.16512 194.7
[M+NH4]+ 366.20972 190.4
[M+K]+ 387.13906 186.7
[M-H]- 347.16862 184.5
[M+Na-2H]- 369.15057 186.9
[M]+ 348.17535 185.9
[M]- 348.17645 185.9
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