CID 10031785

2,4,6-triisopropylbenzenesulfonic acid

Structural Information

Molecular Formula
C15H24O3S
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)O)C(C)C
InChI
InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)
InChIKey
YHGKEORTCHVBQH-UHFFFAOYSA-N
Compound name
2,4,6-tri(propan-2-yl)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3722
Patents

284.14462 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15190 162.6
[M+Na]+ 307.13384 169.3
[M-H]- 283.13734 165.2
[M+NH4]+ 302.17844 178.7
[M+K]+ 323.10778 166.6
[M+H-H2O]+ 267.14188 157.2
[M+HCOO]- 329.14282 174.6
[M+CH3COO]- 343.15847 201.6
[M+Na-2H]- 305.11929 160.0
[M]+ 284.14407 166.7
[M]- 284.14517 166.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe