CID 60196429

Unii-cx7e53ux70

Structural Information

Molecular Formula
C19H26O3S
SMILES
CC(C)C1=CC2=C(C=C1)C(=CC(=C2S(=O)(=O)O)C(C)C)C(C)C
InChI
InChI=1S/C19H26O3S/c1-11(2)14-7-8-15-16(12(3)4)10-17(13(5)6)19(18(15)9-14)23(20,21)22/h7-13H,1-6H3,(H,20,21,22)
InChIKey
YYULUYUZVZOOKX-UHFFFAOYSA-N
Compound name
2,4,7-tri(propan-2-yl)naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.16028 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16756 178.9
[M+Na]+ 357.14950 190.2
[M+NH4]+ 352.19410 185.8
[M+K]+ 373.12344 183.5
[M-H]- 333.15300 179.7
[M+Na-2H]- 355.13495 182.0
[M]+ 334.15973 181.2
[M]- 334.16083 181.2
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

No patent data available for this compound.