CID 17936430

1-(1-chloroethyl)-4-methanesulfonylbenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.01683 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.024106 141.1
[M+Na]+ 241.006048 150.7
[M-H]- 217.009554 145.6
[M+NH4]+ 236.050653 161.3
[M+K]+ 256.979988 146.7
[M+H-H2O]+ 201.014090 137.0
[M+HCOO]- 263.015031 154.1
[M+CH3COO]- 277.030681 183.7
[M+Na-2H]- 238.991496 144.5
[M]+ 218.01628142 145.8
[M]- 218.01737858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.