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 175.7
[M+Na]+ 357.14950 182.8
[M-H]- 333.15300 178.9
[M+NH4]+ 352.19410 190.9
[M+K]+ 373.12344 179.0
[M+H-H2O]+ 317.15754 170.0
[M+HCOO]- 379.15848 186.2
[M+CH3COO]- 393.17413 212.3
[M+Na-2H]- 355.13495 174.2
[M]+ 334.15973 180.6
[M]- 334.16083 180.6
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.