CID 2734882

4-(propan-2-yl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H11ClO2S
SMILES
CC(C)C1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C9H11ClO2S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3
InChIKey
CETRNHJIXGITKR-UHFFFAOYSA-N
Compound name
4-propan-2-ylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1114
Patents

218.01683 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.02411 141.1
[M+Na]+ 241.00605 150.7
[M-H]- 217.00955 145.6
[M+NH4]+ 236.05065 161.3
[M+K]+ 256.97999 146.7
[M+H-H2O]+ 201.01409 137.0
[M+HCOO]- 263.01503 154.1
[M+CH3COO]- 277.03068 183.7
[M+Na-2H]- 238.99150 144.5
[M]+ 218.01628 145.8
[M]- 218.01738 145.8
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