CID 117461

Naphthalenesulfonic acid, dibutyl-

Structural Information

Molecular Formula
C18H24O3S
SMILES
CCCCC1=CC(=C(C2=CC=CC=C21)S(=O)(=O)O)CCCC
InChI
InChI=1S/C18H24O3S/c1-3-5-9-14-13-15(10-6-4-2)18(22(19,20)21)17-12-8-7-11-16(14)17/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,19,20,21)
InChIKey
JCRNSBKSAQHNIN-UHFFFAOYSA-N
Compound name
2,4-dibutylnaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

544
Patents

320.14462 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15190 174.6
[M+Na]+ 343.13384 182.4
[M-H]- 319.13734 177.6
[M+NH4]+ 338.17844 190.4
[M+K]+ 359.10778 176.9
[M+H-H2O]+ 303.14188 168.3
[M+HCOO]- 365.14282 188.7
[M+CH3COO]- 379.15847 205.4
[M+Na-2H]- 341.11929 177.0
[M]+ 320.14407 180.5
[M]- 320.14517 180.5
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