CID 20476487

5,8-diisopropyl-2-naphthalenesulfonic acid

Structural Information

Molecular Formula
C16H20O3S
SMILES
CC(C)C1=C2C=CC(=CC2=C(C=C1)C(C)C)S(=O)(=O)O
InChI
InChI=1S/C16H20O3S/c1-10(2)13-7-8-14(11(3)4)16-9-12(20(17,18)19)5-6-15(13)16/h5-11H,1-4H3,(H,17,18,19)
InChIKey
LBIHURUKKNLEAT-UHFFFAOYSA-N
Compound name
5,8-di(propan-2-yl)naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

292.1133 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.120576 164.3
[M+Na]+ 315.102518 172.2
[M-H]- 291.106024 167.7
[M+NH4]+ 310.147123 181.1
[M+K]+ 331.076458 168.4
[M+H-H2O]+ 275.110560 158.7
[M+HCOO]- 337.111501 176.9
[M+CH3COO]- 351.127151 201.2
[M+Na-2H]- 313.087966 165.7
[M]+ 292.11275142 168.3
[M]- 292.11384858 168.3
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