CID 81042

2,4,6-triisopropylbenzenesulfonyl chloride

Structural Information

Molecular Formula
C15H23ClO2S
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)Cl)C(C)C
InChI
InChI=1S/C15H23ClO2S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3
InChIKey
JAPYIBBSTJFDAK-UHFFFAOYSA-N
Compound name
2,4,6-tri(propan-2-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

3526
Patents

302.11072 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11800 170.9
[M+Na]+ 325.09994 182.6
[M+NH4]+ 320.14454 178.4
[M+K]+ 341.07388 175.3
[M-H]- 301.10344 171.6
[M+Na-2H]- 323.08539 174.4
[M]+ 302.11017 173.6
[M]- 302.11127 173.6
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