CID 3015459

Sodium diisobutylnaphthalenesulphonate

Structural Information

Molecular Formula
C18H24O3S
SMILES
CC(C)CC1=CC2=CC=CC=C2C(=C1CC(C)C)S(=O)(=O)O
InChI
InChI=1S/C18H24O3S/c1-12(2)9-15-11-14-7-5-6-8-16(14)18(22(19,20)21)17(15)10-13(3)4/h5-8,11-13H,9-10H2,1-4H3,(H,19,20,21)
InChIKey
KBLAMUYRMZPYLS-UHFFFAOYSA-N
Compound name
2,3-bis(2-methylpropyl)naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13512
Patents

320.14462 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15190 174.9
[M+Na]+ 343.13384 186.5
[M+NH4]+ 338.17844 182.1
[M+K]+ 359.10778 178.9
[M-H]- 319.13734 175.9
[M+Na-2H]- 341.11929 178.7
[M]+ 320.14407 177.3
[M]- 320.14517 177.3
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